Chemical Properties of ((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 (CAS 105255-30-9)

((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

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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/h13,19-20H,6-12,14H2,1-5H3
InChI Key
POURHGVSIKHUNU-UHFFFAOYSA-N
Formula
C22H34O2
SMILES
CC(=O)OCC1(C)CCCC2(C)C3CCC(=C(C)C)C=C3CCC12
Molecular Weight1
330.50
CAS
105255-30-9
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Physical Properties

Property Value Unit Source
ΔfG° 60.74 kJ/mol Joback Calculated Property
ΔfH°gas -431.92 kJ/mol Joback Calculated Property
ΔfusH° 27.75 kJ/mol Joback Calculated Property
ΔvapH° 73.53 kJ/mol Joback Calculated Property
log10WS -6.32 Crippen Calculated Property
logPoct/wat 5.829 Crippen Calculated Property
McVol 287.100 ml/mol McGowan Calculated Property
Pc 1416.50 kPa Joback Calculated Property
Inp [2578.40; 2578.40]   Show Hide
Inp 2578.40 NIST
Inp 2578.40 NIST
Tboil 827.09 K Joback Calculated Property
Tc 1057.88 K Joback Calculated Property
Tfus 499.32 K Joback Calculated Property
Vc 1.087 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [948.79; 1103.21] J/mol×K [827.09; 1057.88] Show Hide
Cp,gas 948.79 J/mol×K 827.09 Joback Calculated Property
Cp,gas 974.07 J/mol×K 865.56 Joback Calculated Property
Cp,gas 999.14 J/mol×K 904.02 Joback Calculated Property
Cp,gas 1024.28 J/mol×K 942.49 Joback Calculated Property
Cp,gas 1049.80 J/mol×K 980.95 Joback Calculated Property
Cp,gas 1076.02 J/mol×K 1019.42 Joback Calculated Property
Cp,gas 1103.21 J/mol×K 1057.88 Joback Calculated Property

Similar Compounds

((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate. 12-Hydroxy-«beta»-caryophyllene acetate. neoabietinol. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),13(15)-Abietadien-18-oate. Cedr-8-en-13-yl, 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. Italicen-12-yl acetate. 10-epi-Italicen-12-yl acetate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl abietate. Methyl abieta-7,13-dien-18-oate. Agnosterol acetate. Italicen-12-yl isovalerate.

Find more compounds similar to ((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.

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