Chemical Properties of 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»)]- (CAS 1686-66-4)

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/h6,8,16-17H,1,7,9-14H2,2-5H3/t16?,17?,19-,20-/m0/s1

InChI Key

VCOVNILQQQZROK-WXDAQCLHSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2C(=CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

272.47

CAS

1686-66-4

Other Names

• Podocarp-7-ene, 13«beta»-methyl-13-vinyl-
• Isopimara-7,15-diene
• Isopimaradiene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3451		Relay (... Calculated Property
ΔfG°	315.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.85	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.26	kJ/mol	Joback Calculated Property
ΔvapH°	77.11	kJ/mol	Relay (... Calculated Property
IE	8.33	eV	Relay (... Calculated Property
log10WS	-6.46		Relay (... 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	[1968.00; 2013.00]
Inp	1994.00		NIST
Inp	1968.00		NIST
Inp	1994.00		NIST
Inp	1999.00		NIST
Inp	1969.00		NIST
Inp	2013.00		NIST
Inp	1969.00		NIST
I	[2295.00; 2375.00]
I	2335.00		NIST
I	2375.00		NIST
I	2295.00		NIST
I	2332.00		NIST
I	2319.00		NIST
I	2346.00		NIST
I	2349.00		NIST
I	2349.00		NIST
Tboil	604.46	K	Relay (... Calculated Property
Tc	831.81	K	Relay (... Calculated Property
Tfus	330.37	K	Relay (... Calculated Property
Vc	0.883	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.71; 920.40]	J/mol×K	[690.77; 930.20]
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

Find more compounds similar to 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»)]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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