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

InChI

InChI=1S/C31H58/c1-9-12-23(2)13-10-14-24(3)15-17-26-25(4)16-18-28-30(26,7)22-19-27-29(5,6)20-11-21-31(27,28)8/h23-28H,9-22H2,1-8H3/t23?,24-,25+,26-,27?,28?,30+,31+/m1/s1

InChI Key

VUYKMUGBDPHBEV-GPSPSLBSSA-N

Formula

C31H58

SMILES

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

Molecular Weight¹

430.79

• 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	0.6982		Relay (... Calculated Property
ΔfG°	279.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.29	kJ/mol	Joback Calculated Property
ΔvapH°	120.86	kJ/mol	Relay (... Calculated Property
IE	8.87	eV	Relay (... Calculated Property
log10WS	-9.62		Relay (... Calculated Property
logPoct/wat	10.304		Crippen Calculated Property
McVol	415.070	ml/mol	McGowan Calculated Property
Pc	746.51	kPa	Joback Calculated Property
Inp	[3081.00; 3081.00]
Inp	3081.00		NIST
Inp	3081.00		NIST
Tboil	685.19	K	Relay (... Calculated Property
Tc	923.06	K	Relay (... Calculated Property
Tfus	307.81	K	Relay (... Calculated Property
Vc	1.493	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1546.08; 1783.74]	J/mol×K	[931.41; 1147.84]
Cp,gas	1546.08	J/mol×K	931.41	Joback Calculated Property
Cp,gas	1582.79	J/mol×K	967.48	Joback Calculated Property
Cp,gas	1620.18	J/mol×K	1003.55	Joback Calculated Property
Cp,gas	1658.61	J/mol×K	1039.62	Joback Calculated Property
Cp,gas	1698.43	J/mol×K	1075.69	Joback Calculated Property
Cp,gas	1740.02	J/mol×K	1111.77	Joback Calculated Property
Cp,gas	1783.74	J/mol×K	1147.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1B-(3S,7-dimethyldecyl)-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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