Chemical Properties of (3E,10Z)-Oxacyclotrideca-3,10-diene-2,7-dione (CAS 144403-15-6)

(3E,10Z)-Oxacyclotrideca-3,10-diene-2,7-dione

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InChI
InChI=1S/C12H16O3/c13-11-7-3-1-2-6-10-15-12(14)9-5-4-8-11/h1-2,5,9H,3-4,6-8,10H2/b2-1-,9-5+
InChI Key
QPFMJNUWOHGONF-RLKBUKNLSA-N
Formula
C12H16O3
SMILES
O=C1C=CCCC(=O)CCC=CCCO1
Molecular Weight1
208.25
CAS
144403-15-6
Sources

Physical Properties

Property Value Unit Source
Δf -273.76 kJ/mol Joback Calculated Property
Δfgas -551.31 kJ/mol Joback Calculated Property
Δfus 12.34 kJ/mol Joback Calculated Property
Δvap 57.84 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 3005.73 kPa Joback Calculated Property
Tboil 688.98 K Joback Calculated Property
Tc 967.11 K Joback Calculated Property
Tfus 376.51 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 477.44 J/mol×K 688.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 2
-CH2- (ring) 6
=CH- (ring) 4

Similar Compounds

butyl trans-2-nonenoate. 2-Hexenoic acid, 3-hexenyl ester, (E,Z)-. butyl trans-2-octenoate. 2-Octenoic acid, butyl ester. butyl cis-2-octenoate. Ethyl 2-decenoate. 2-Nonenoic acid, ethyl ester. Fumaric acid, ethyl tetradec-3-enyl ester. Fumaric acid, propyl tetradec-3-enyl ester. Fumaric acid, di(tetradec-3-enyl) ester. 2-Heptenoic acid, isobutyl ester. 2-Heptenoic acid, butyl ester. Fumaric acid, di(cis-non-3-enyl) ester. Fumaric acid, cis-non-3-enyl propyl ester. Ethyl (E)-2-octenoate.

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