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

InChI

InChI=1S/C28H52/c1-8-9-10-12-21(2)13-15-23-22(3)14-16-25-27(23,6)20-17-24-26(4,5)18-11-19-28(24,25)7/h21-25H,8-20H2,1-7H3/t21-,22-,23+,24?,25?,27-,28-/m0/s1

InChI Key

CLWTVLJDQACLFC-XYZVGGHWSA-N

Formula

C28H52

SMILES

CCCCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C

Molecular Weight¹

388.71

• 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.
• 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°	256.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.57	kJ/mol	Joback Calculated Property
ΔfusH°	34.05	kJ/mol	Joback Calculated Property
ΔvapH°	73.44	kJ/mol	Joback Calculated Property
log10WS	-9.29		Crippen Calculated Property
logPoct/wat	9.278		Crippen Calculated Property
McVol	372.800	ml/mol	McGowan Calculated Property
Pc	875.32	kPa	Joback Calculated Property
Inp	[2792.00; 2792.00]
Inp	2792.00		NIST
Inp	2792.00		NIST
Tboil	863.21	K	Joback Calculated Property
Tc	1076.62	K	Joback Calculated Property
Tfus	481.28	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1331.86; 1539.63]	J/mol×K	[863.21; 1076.62]
Cp,gas	1331.86	J/mol×K	863.21	Joback Calculated Property
Cp,gas	1364.94	J/mol×K	898.78	Joback Calculated Property
Cp,gas	1398.19	J/mol×K	934.35	Joback Calculated Property
Cp,gas	1431.95	J/mol×K	969.92	Joback Calculated Property
Cp,gas	1466.55	J/mol×K	1005.49	Joback Calculated Property
Cp,gas	1502.33	J/mol×K	1041.05	Joback Calculated Property
Cp,gas	1539.63	J/mol×K	1076.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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