Chemical Properties of (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene (CAS 57119-12-7)

(4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene

InChI
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m1/s1
InChI Key
MRRHSEMHYVQUFK-GGPKGHCWSA-N
Formula
C20H32
SMILES
CC(C)=C1C=C2CCC3C(C)(C)CCCC3(C)C2CC1
Molecular Weight1
272.47
CAS
57119-12-7
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Physical Properties

Property Value Unit Source
ΔfusH° 19.78 kJ/mol Joback Calculated Property
logPoct/wat 6.286 Crippen Calculated Property
McVol 251.480 ml/mol McGowan Calculated Property
Inp [2170.90; 2170.90]   Show Hide
Inp 2170.90 NIST
Inp 2170.90 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [317.92; 951.98] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.52180e+02
Coefficient B2.67280e+00
Coefficient C-2.39364e-03
Coefficient D9.25000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 317.92 J/mol×K 273.00 Calculated Property
Cp,gas 434.77 J/mol×K 353.78 Calculated Property
Cp,gas 533.19 J/mol×K 434.56 Calculated Property
Cp,gas 616.12 J/mol×K 515.33 Calculated Property
Cp,gas 686.47 J/mol×K 596.11 Calculated Property
Cp,gas 747.17 J/mol×K 676.89 Calculated Property
Cp,gas 801.15 J/mol×K 757.67 Calculated Property
Cp,gas 851.32 J/mol×K 838.44 Calculated Property
Cp,gas 900.63 J/mol×K 919.22 Calculated Property
Cp,gas 951.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

Abieta-8(14),13(15)-diene. (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde. Abietadiene. (4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene. Zonarene. Epizonarene. Zonarene. (-)-Selina-5,7(11)-diene. (+)-Eudesma-5,7(11)-diene. Calamenen-3,5(10)-diene. 7bH,10bH-Cadina-1(6),4-diene. 10-«beta»(H)-Cadina-1(6),4-diene. trans-Cadina-1(6),4-diene. 1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene. «delta»-Selinene.

Find more compounds similar to (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene.

Sources

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