Chemical |
Heptane |
CAS-number : |
142-82-5 |
|
Synonyms : |
Heptaani |
|
Sumformula of the chemical : |
C7H16 |
EINECS-number : |
2055638 |
|
Uses : |
Solvent.
|
|
State and appearance : |
Colorless liquid (HSDB 2002).
|
|
Odor : |
Gasoline-like odor (HSDB 2002).
|
|
Vapor pressure, mmHg : |
40 |
at 22.3 °C, HSDB 2002 |
|
Water solubility, mg/l : |
100 |
< 100 |
|
-- |
2.93 |
at 20 °C |
2.4 |
at 20 °C, in distilled water |
10.5 |
at 20 °C, in salt water |
|
HSDB 2002 |
|
Boiling point, °C : |
98.4 |
|
|
Log octanol/water coefficient, log Pow : |
4.66 |
HSDB 2002 |
|
Henry's law constant, Pa x m3/mol : |
273500 |
calc. Yaws et al. 1991 |
|
Volatilization : |
Relative volatility (nBuAc=1) = 3.62
Based upon a water solubility of 2.93 mg/l and a vapor pressure
of 45.8 mmHg at 25 °C, the Henry's Law constant for n-heptane
has been calculated to be 2.06 atmxm3/mole.
This value of
Henry's Law constant indicates estremely rabid volatilization
from environmental waters.
The volatilization half-life from a
model river (1 meter deep flowing 1 m/sec with a wind speed of
3 m/sec) has been estimated to be 2.9 hr.
The volatilization
half-life from a model pond, which considers the effect of
adsorption, has been estimated to be 13 days (HSDB 2002).
|
|
Mobility : |
Based on a water solubility of 2.93 mg/l and a log Kow of 4.66,
the Koc of n-heptane has been calculated to range from 2400 to
8100 from various regression-derived equations.
These Koc
values indicate n-heptane will be slightly mobile to immobile
in soils (HSDB 2002).
|
|
Photochemical degradation in air : |
Based on data for the structurally similar n-hexane and
iso-octane, n-heptane is not expected to adsorb UV light in
environmentally significant range >290 nm.
Therefore n-heptane
probably will not undergo direct photolysis in the environment.
The rate constant for the vapor phase reaction of n-heptane
with photochemicaly produced hydroxyl radicals was measured to
be 7.18x10-10 cm3/molecule-sec at 26 °C which corresponds to an
atmospheric half-life about 2.2 days at an atmospheric concn of
5x10+5 radicals per cm3.
At 27 °C the rate constant and half
life were reported to be 8.5x10-12 cm3/sec and 1.9 days
respectively (HSDB 2002).
|
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Other information of degradation : |
The theoretical oxygen demand of benzene activated sludge for
n-heptane was 0.7, 4.3 and 23.4% after 6, 24 and 72 hr
respectively.
The average theoretical biological oxygen demand
of trials for n-heptane was 28, 63, 70 and 70% after 2, 5, 10
and 20 days, respectively (HSDB 2002).
|
|
Other information of bioaccumulation : |
Based upon a water solubility of 2.93 mg/l at 25 °C and log Kow
of 4.66, the bioconcentration factor (log BCF) for n-heptane
has been calculateed to be 2.53 and 3.31, respectively, from
recommended regression-derived equations.
These BCF values
indicate bioconcentration may be important (HSDB 2002).
|
|
TCLo values to mammals in inhalation exposure, ppm : |
1000 |
6 min., CNS-eff., rat |
References |
3114 | HSDB Database 1992 -.
Hazardous Substances Data Bank.
US.
National Library of Medicine.
TOMES Plus CD-ROM.
|
3030 | Yaws, C., Yang, H-C. & Pan, X. 1991.
Henry's law constants for
362 organic compounds in water.
Chemical Engineering.
November.
p 179 - 185. |