Chemical Properties of ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate (CAS 146099-60-7)

((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate

InChI
InChI=1S/C22H34O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h8,13,15,19-20H,6-7,9-12,14H2,1-5H3
InChI Key
JVRVYQYYINXFCM-UHFFFAOYSA-N
Formula
C22H34O2
SMILES
CC(=O)OCC1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12
Molecular Weight1
330.50
CAS
146099-60-7
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Physical Properties

Property Value Unit Source
ω 0.5209 Relay (1.0) Calculated Property
ΔfG° 41.72 kJ/mol Joback Calculated Property
ΔfH°gas -514.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.05 kJ/mol Joback Calculated Property
ΔvapH° 98.34 kJ/mol Relay (1.0) Calculated Property
IE 7.93 eV Relay (1.0) Calculated Property
log10WS -5.41 Relay (1.0) Calculated Property
logPoct/wat 5.685 Crippen Calculated Property
McVol 287.100 ml/mol McGowan Calculated Property
Pc 1411.18 kPa Joback Calculated Property
Inp [2512.00; 2512.00]   Show Hide
Inp 2512.00 NIST
Inp 2512.00 NIST
Tboil 627.98 K Relay (1.0) Calculated Property
Tc 875.93 K Relay (1.0) Calculated Property
Tfus 370.47 K Relay (1.0) Calculated Property
Vc 0.998 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [948.33; 1099.48] J/mol×K [824.27; 1052.82] Show Hide
Cp,gas 948.33 J/mol×K 824.27 Joback Calculated Property
Cp,gas 973.27 J/mol×K 862.36 Joback Calculated Property
Cp,gas 997.94 J/mol×K 900.45 Joback Calculated Property
Cp,gas 1022.61 J/mol×K 938.55 Joback Calculated Property
Cp,gas 1047.56 J/mol×K 976.64 Joback Calculated Property
Cp,gas 1073.09 J/mol×K 1014.73 Joback Calculated Property
Cp,gas 1099.48 J/mol×K 1052.82 Joback Calculated Property

Similar Compounds

((1S,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methyl acetate. ((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. Methyl abietate. Methyl abieta-7,13-dien-18-oate. 12-Hydroxy-«beta»-caryophyllene acetate. Methyl 8(14),12-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Abietic acid. Abietic acid, trimethylsilyl ester. Cedr-8-en-13-yl, acetate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Agnosterol acetate. Vernosterol acetate. Lanosta-7,9(11)-dien-3-ol, acetate, (3«beta»)-.

Find more compounds similar to ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate.

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