Chemical Properties of Perhydrophenanthrene, 1B-(3R,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C30H56/c1-9-22(2)12-10-13-23(3)14-16-25-24(4)15-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h22-27H,9-21H2,1-8H3/t22?,23-,24-,25+,26?,27?,29-,30-/m0/s1

InChI Key

LKFHRJUTBBHMDC-NRSLZMCPSA-N

Formula

C30H56

SMILES

CCC(C)CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C

Molecular Weight¹

416.77

• 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.
• 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	0.6678		Relay (... Calculated Property
ΔfG°	271.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.20	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.70	kJ/mol	Joback Calculated Property
ΔvapH°	116.15	kJ/mol	Relay (... Calculated Property
IE	8.84	eV	Relay (... Calculated Property
log10WS	-9.34		Relay (... Calculated Property
logPoct/wat	9.914		Crippen Calculated Property
McVol	400.980	ml/mol	McGowan Calculated Property
Pc	787.27	kPa	Joback Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	678.50	K	Relay (... Calculated Property
Tc	917.17	K	Relay (... Calculated Property
Tfus	308.69	K	Relay (... Calculated Property
Vc	1.441	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1473.55; 1700.51]	J/mol×K	[908.53; 1123.97]
Cp,gas	1473.55	J/mol×K	908.53	Joback Calculated Property
Cp,gas	1508.97	J/mol×K	944.44	Joback Calculated Property
Cp,gas	1544.87	J/mol×K	980.34	Joback Calculated Property
Cp,gas	1581.63	J/mol×K	1016.25	Joback Calculated Property
Cp,gas	1619.58	J/mol×K	1052.16	Joback Calculated Property
Cp,gas	1659.09	J/mol×K	1088.06	Joback Calculated Property
Cp,gas	1700.51	J/mol×K	1123.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1B-(3R,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl.

Sources

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

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