Chemical Properties of Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]- (CAS 1686-56-2)

Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-

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InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16?,17?,19-,20-/m0/s1
InChI Key
XDSYKASBVOZOAG-WXDAQCLHSA-N
Formula
C20H32
SMILES
C=CC1(C)C=C2CCC3C(C)(C)CCCC3(C)C2CC1
Molecular Weight1
272.47
CAS
1686-56-2
Other Names
  • Podocarp-8(14)-ene, 13«beta»-methyl-13-vinyl-
  • Sandaracopimaradiene
  • 13-Isopimaradiene
  • 8(14),15-Sandaracopimaradiene
  • Sandaracopimara-8(14),15-diene
  • Pimara-8(14),15-diene
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Physical Properties

Property Value Unit Source
ΔfG° 315.55 kJ/mol Joback Calculated Property
ΔfH°gas -91.75 kJ/mol Joback Calculated Property
ΔfusH° 14.26 kJ/mol Joback Calculated Property
ΔvapH° 56.93 kJ/mol Joback Calculated Property
log10WS -6.38 Crippen Calculated Property
logPoct/wat 6.142 Crippen Calculated Property
McVol 251.480 ml/mol McGowan Calculated Property
Pc 1611.58 kPa Joback Calculated Property
Inp [1919.00; 1999.00]   Show Hide
Inp 1919.00 NIST
Inp 1936.00 NIST
Inp 1943.00 NIST
Inp 1969.00 NIST
Inp 1966.00 NIST
Inp 1960.00 NIST
Inp 1950.00 NIST
Inp 1961.00 NIST
Inp 1941.00 NIST
Inp 1961.00 NIST
Inp 1961.00 NIST
Inp 1960.00 NIST
Inp 1961.00 NIST
Inp 1941.00 NIST
Inp 1961.00 NIST
Inp 1931.00 NIST
Inp Outlier 1996.00 NIST
Inp 1969.00 NIST
Inp 1970.00 NIST
Inp 1941.00 NIST
Inp 1941.00 NIST
Inp 1943.00 NIST
Inp Outlier 1999.00 NIST
Inp 1942.00 NIST
Inp 1941.00 NIST
Inp 1942.00 NIST
Inp 1961.00 NIST
Inp 1967.00 NIST
Inp 1973.40 NIST
Inp 1965.00 NIST
Inp 1975.00 NIST
Inp 1955.00 NIST
Inp 1960.00 NIST
Inp 1941.00 NIST
Inp 1935.00 NIST
Inp 1922.00 NIST
Inp 1919.00 NIST
Inp 1941.00 NIST
Inp 1935.00 NIST
Inp 1941.00 NIST
Inp 1951.00 NIST
Inp 1969.00 NIST
Inp 1941.00 NIST
Inp 1946.00 NIST
Inp 1919.00 NIST
Inp 1966.00 NIST
Inp 1961.00 NIST
I [2229.00; 2287.00]   Show Hide
I 2243.00 NIST
I 2279.00 NIST
I 2255.00 NIST
I 2229.00 NIST
I 2287.00 NIST
I 2287.00 NIST
I 2287.00 NIST
I 2243.00 NIST
Tboil 690.77 K Joback Calculated Property
Tc 930.20 K Joback Calculated Property
Tfus 426.12 K Joback Calculated Property
Vc 0.946 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [762.71; 920.40] J/mol×K [690.77; 930.20] Show Hide
Cp,gas 762.71 J/mol×K 690.77 Joback Calculated Property
Cp,gas 789.62 J/mol×K 730.67 Joback Calculated Property
Cp,gas 815.66 J/mol×K 770.58 Joback Calculated Property
Cp,gas 841.30 J/mol×K 810.48 Joback Calculated Property
Cp,gas 867.00 J/mol×K 850.39 Joback Calculated Property
Cp,gas 893.21 J/mol×K 890.29 Joback Calculated Property
Cp,gas 920.40 J/mol×K 930.20 Joback Calculated Property

Similar Compounds

15-Isopimaradiene. Sandaracopimaridiene. 1-(2,2,3,5,6-Pentamethylcyclohex-4-enyl)-9-(3,3,4-trimethylcyclohex-1-enyl)-3,6-dimethyl-6-ethenyl-dec-4-ene. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 2. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 1. 1,1,6-trimethyl-3-methylene-2-(3,6,10,13,14-pentamethyl-3-ethenyl-pentadec-4-enye)cyclohexane. Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-. 2-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethylcyclohexyliden)butyl]-4,7-octadienyl}-1,1,6-trimethyl-3-methylenecyclohexane, isomer # 1. 2-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethylcyclohexyliden)butyl]-4,7-octadienyl}-1,1,6-trimethyl-3-methylenecyclohexane, isomer # 2. 5-[(4E)-3,6-dimethyl-6-(3,4,7,8-tetramethylnonyl)-4,7-octadienyl]-1,3,4,4,6-pentamethyl-1-cyclohexene. Sandaracopimarinal. 1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. 1,1,6-trimethyl-3-methylene-2-[(4E)-3,6,13,14-tetramethyl-10-methylene-6-vinyl-4,14-pentadecadienyl]cyclohexane, isomer # 2. Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-4a,7-dimethyl-1-methylene-, [4aS-(4a«alpha»,4a«beta»,7«beta»,10a«beta»)]-. 1,1,6-trimethyl-3-methylene-2-[(4E)-3,6,13,14-tetramethyl-10-methylene-6-vinyl-4,14-pentadecadienyl]cyclohexane, isomer # 4.

Find more compounds similar to Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.