Chemical Properties of 4-Acetoxy-germacra-1,8(11)dien-9-one

4-Acetoxy-germacra-1,8(11)dien-9-one

InChI
InChI=1S/C17H26O3/c1-11(2)15-8-7-13(4)17(20-14(5)18)9-6-12(3)10-16(15)19/h6,13,17H,7-10H2,1-5H3/b12-6+
InChI Key
JCXJNMDQQLRIGL-WUXMJOGZSA-N
Formula
C17H26O3
SMILES
CC(=O)OC1CC=C(C)CC(=O)C(=C(C)C)CCC1C
Molecular Weight1
278.39
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Physical Properties

Property Value Unit Source
ω 0.4854 Relay (1.0) Calculated Property
Δf -238.67 kJ/mol Joback Calculated Property
Δfgas -592.49 kJ/mol Relay (1.0) Calculated Property
Δfus 26.44 kJ/mol Joback Calculated Property
Δvap 87.86 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -3.32 Relay (1.0) Calculated Property
logPoct/wat 3.980 Crippen Calculated Property
McVol 239.940 ml/mol McGowan Calculated Property
Pc 1676.91 kPa Joback Calculated Property
Inp 1875.00 NIST
Tboil 600.95 K Relay (1.0) Calculated Property
Tc 794.07 K Relay (1.0) Calculated Property
Tfus 341.86 K Relay (1.0) Calculated Property
Vc 0.787 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [737.09; 835.04] J/mol×K [775.09; 1006.36] Show Hide
Cp,gas 737.09 J/mol×K 775.09 Joback Calculated Property
Cp,gas 758.07 J/mol×K 813.63 Joback Calculated Property
Cp,gas 777.25 J/mol×K 852.18 Joback Calculated Property
Cp,gas 794.59 J/mol×K 890.72 Joback Calculated Property
Cp,gas 810.03 J/mol×K 929.27 Joback Calculated Property
Cp,gas 823.53 J/mol×K 967.81 Joback Calculated Property
Cp,gas 835.04 J/mol×K 1006.36 Joback Calculated Property

Similar Compounds

Incensole acetate. Isoincensole acetate. Imcensole acetate. 5-Androstene-3beta-ol,17-one-16-ylidenacetic acid, 3-acetate. Chrysanthenyl hexanoate. cis-Chrysanthenyl pentanoate. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone, acetate. (4S,5S)-Germacrone-4,5-epoxide. Chrysanthenyl propanoate. cis-Chrysanthenyl propionate. 3-Acetoxyamorpha-4,7(11)-dien-8-one. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone. 5-Pregnene-3«beta»,20«alpha»,21-triol, triacetate. 5-Pregnene-3«beta»,20«beta»,21-triol, triacetate. Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1«alpha»,5«alpha»,6«beta»)]-.

Find more compounds similar to 4-Acetoxy-germacra-1,8(11)dien-9-one.

Sources

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