Results for:
PubChem ID: 8844

Diethyl Hexanedioate

Compound Details

Synonymous names
DIETHYL ADIPATE
141-28-6
Diethyl hexanedioate
Ethyl adipate
Hexanedioic acid, diethyl ester
1,6-Diethyl hexanedioate
Adipic acid, diethyl ester
ADIPIC ACID DIETHYL ESTER
Hexanedioic acid, diethyl-
Diethylhexanedioic acid
Hexanedioic acid, 1,6-diethyl ester
Diethylester kyseliny adipove
NSC 19160
hexanedioic acid diethyl ester
Ethyl .delta.-carboethoxyvalerate
7B19K45L6C
NSC-19160
68201-71-8
WLN: 2OV4VO2
68989-28-6
Ethyl delta-carboethoxyvalerate
HSDB 5413
EINECS 205-477-0
Diethylester kyseliny adipove [Czech]
BRN 1780035
diethyladipate
UNII-7B19K45L6C
AI3-00342
DUB DEA
SCHEMBL50610
BIDD:ER0365
DIETHYL ADIPATE [HSDB]
Diethyl adipate, >=99%, FG
DTXSID2021999
CHEBI:34697
NSC3363
AMY11024
NSC-3363
NSC19160
Diethyl adipate, analytical standard
MFCD00009215
AKOS009031409
DS-5105
Diethyl adipate, ReagentPlus(R), 99%
A0162
NS00042075
EN300-19693
Diethyl adipate, Vetec(TM) reagent grade, 98%
A807746
J-007477
Q27116229
F1905-6995
Z104474764
Microorganism:

Yes

IUPAC namediethyl hexanedioate
SMILESCCOC(=O)CCCCC(=O)OCC
InchiInChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
FormulaC10H18O4
PubChem ID8844
Molweight202.25
LogP1.3
Atoms14
Bonds9
H-bond Acceptor4
H-bond Donor0
Chemical Classificationasters
CHEBI-ID34697
Supernatural-IDSN0391608

mVOC Specific Details

Boiling Point
DegreeReference
245 °C peer reviewed
Volatilization
The Henry's Law constant for diethyl adipate is estimated as 3.6X10-6 atm-cu m/mole(SRC) from its vapor pressure, 0.058 mm Hg(1), and water solubility, 4,230 mg/l(2). This Henry's Law constant indicates that diethyl adipate is expected to volatilize from water surfaces(3). 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)(3) is estimated as 10 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 110 days(SRC). Diethyl adipate's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). Volatilization from dry soil surfaces is not expected to be an important environmental fate process for diethyl adipate(SRC) based on its vapor pressure(1).
Soil Adsorption
The Koc of diethyl adipate is estimated as 45(SRC), using a water solubility of 4,230 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl adipate is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.05
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno