Results for:
chemical Classification: nitrates

Cyclopentyl Nitrate

Compound Details

Synonymous names
Cyclopentyl nitrate #
Cyclopentanol, nitrate
SCHEMBL324551
DDBCVXXAMXPHKF-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namecyclopentyl nitrate
SMILESC1CCC(C1)O[N+](=O)[O-]
InchiInChI=1S/C5H9NO3/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2
FormulaC5H9NO3
PubChem ID534255
Molweight131.13
LogP1.8
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationnitrates nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaAspergillus FlavusnanaSpraker et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaAspergillus Flavusglucose minimal mediumSPME-GC/MSno


Methyl Nitrite

Compound Details

Synonymous names
Methyl nitrite
624-91-9
Nitrous acid, methyl ester
Methylester kyseliny dusite
96TLP8RN37
HSDB 7197
Methylester kyseliny dusite [Czech]
EINECS 210-870-5
Methyl nitrite [Forbidden]
UNII-96TLP8RN37
METHYLNITRITE
CH3ONO
Methyl ester of nitrous acid
METHYL NITRITE [HSDB]
DTXSID8060795
AKOS006277932
NS00043421
Q2730177
Microorganism:

Yes

IUPAC namemethyl nitrite
SMILESCON=O
InchiInChI=1S/CH3NO2/c1-4-2-3/h1H3
FormulaCH3NO2
PubChem ID12231
Molweight61.04
LogP0
Atoms4
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationnitrates nitrogen compounds nitrites

mVOC Specific Details

Boiling Point
DegreeReference
64.6 °C peer reviewed
Volatilization
The Henry's Law constant for methyl nitrite is estimated as 6.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl nitrite is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7.8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.2 days(SRC). Methyl nitrite's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl nitrite from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 1,600 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl nitrite can be estimated to be 44(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl nitrite is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno