Chemical Properties of Calamenone

Calamenone

InChI
InChI=1S/C14H22O2/c1-8-4-5-10-13(2,3)12(16)9-6-11(15)14(8,10)7-9/h8-11,15H,4-7H2,1-3H3/t8-,9?,10?,11+,14-/m0/s1
InChI Key
ZPXYQKMXCQAADS-BYYFJZQESA-N
Formula
C14H22O2
SMILES
CC1CCC2C(C)(C)C(=O)C3CC(O)C12C3
Molecular Weight1
222.32
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Physical Properties

Property Value Unit Source
ω 0.4984 Relay (1.0) Calculated Property
ΔfG° -68.47 kJ/mol Joback Calculated Property
ΔfH°gas -389.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.44 kJ/mol Joback Calculated Property
ΔvapH° 93.29 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
log10WS -2.80 Relay (1.0) Calculated Property
logPoct/wat 2.399 Crippen Calculated Property
McVol 182.980 ml/mol McGowan Calculated Property
Pc 2490.03 kPa Joback Calculated Property
Inp 1685.00 NIST
Tboil 555.46 K Relay (1.0) Calculated Property
Tc 832.49 K Relay (1.0) Calculated Property
Tfus 451.12 K Relay (1.0) Calculated Property
Vc 0.637 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [581.62; 692.00] J/mol×K [694.95; 915.65] Show Hide
Cp,gas 581.62 J/mol×K 694.95 Joback Calculated Property
Cp,gas 600.78 J/mol×K 731.73 Joback Calculated Property
Cp,gas 619.32 J/mol×K 768.52 Joback Calculated Property
Cp,gas 637.47 J/mol×K 805.30 Joback Calculated Property
Cp,gas 655.47 J/mol×K 842.09 Joback Calculated Property
Cp,gas 673.57 J/mol×K 878.87 Joback Calculated Property
Cp,gas 692.00 J/mol×K 915.65 Joback Calculated Property

Similar Compounds

Estran-4-on-17B-ol. Drostanolone. Androstan-17-one, 3,11-dihydroxy-, (3«alpha»,5«beta»,11«beta»)-. 11Beta-hydroxy-5alpha-androstan-17-one. Methyl 5-«beta»-cholan-3-«alpha»,12-«alpha»-diol-7-one-24-oate. 5B-Estran-3-on-17B-ol. Estran-3-one, 17-hydroxy-, (5«alpha»,17«beta»)-. Stanolone. Dihydrochiloscypholone. Pregnane-3,20-dione, 11-hydroxy-, (5«alpha»,11«alpha»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«alpha»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«beta»)-. 9-Hydroxyladanifer-10-one [9(10-->1)-abeo-9-Hydroxyaromadendran-10-one]. Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-. Androstan-17-one, 3-hydroxy-, (3«beta»,5«beta»)-.

Find more compounds similar to Calamenone.

Sources

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