Chemical Properties of Phenanthrene, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl- (CAS 55255-56-6)

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/h6,17H,1,7-14H2,2-5H3

InChI Key

OROJBMPJDLLRFD-UHFFFAOYSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2=C(CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

272.47

CAS

55255-56-6

Other Names

• 7-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-phenanthrene
• 8,15-Pimaradiene
• Pimara-8,15-diene
• pimara-8(9)15-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	313.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.88	kJ/mol	Joback Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	57.90	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	6.286		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[1895.00; 1947.00]
Inp	1947.00		NIST
Inp	1908.00		NIST
Inp	1895.00		NIST
Inp	1947.00		NIST
I	[2249.00; 2275.00]
I	2249.00		NIST
I	2275.00		NIST
Tboil	700.42	K	Joback Calculated Property
Tc	940.52	K	Joback Calculated Property
Tfus	442.88	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.41; 918.02]	J/mol×K	[700.42; 940.52]
Cp,gas	761.41	J/mol×K	700.42	Joback Calculated Property
Cp,gas	787.70	J/mol×K	740.44	Joback Calculated Property
Cp,gas	813.29	J/mol×K	780.45	Joback Calculated Property
Cp,gas	838.65	J/mol×K	820.47	Joback Calculated Property
Cp,gas	864.25	J/mol×K	860.49	Joback Calculated Property
Cp,gas	890.55	J/mol×K	900.51	Joback Calculated Property
Cp,gas	918.02	J/mol×K	940.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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