Chemical Properties of Perhydrophenanthrene, 1A-(3R/S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C26H48/c1-8-10-19(2)11-13-21-20(3)12-14-23-25(21,6)18-15-22-24(4,5)16-9-17-26(22,23)7/h19-23H,8-18H2,1-7H3/t19?,20-,21-,22?,23?,25-,26-/m0/s1

InChI Key

LDBHPHKACOKILM-JCNJOIDRSA-N

Formula

C26H48

SMILES

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

Molecular Weight¹

360.66

• 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°	240.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.29	kJ/mol	Joback Calculated Property
ΔfusH°	28.87	kJ/mol	Joback Calculated Property
ΔvapH°	68.99	kJ/mol	Joback Calculated Property
log10WS	-8.46		Crippen Calculated Property
logPoct/wat	8.498		Crippen Calculated Property
McVol	344.620	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST
Tboil	817.45	K	Joback Calculated Property
Tc	1033.34	K	Joback Calculated Property
Tfus	458.74	K	Joback Calculated Property
Vc	1.306	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1195.20; 1389.85]	J/mol×K	[817.45; 1033.34]
Cp,gas	1195.20	J/mol×K	817.45	Joback Calculated Property
Cp,gas	1226.86	J/mol×K	853.43	Joback Calculated Property
Cp,gas	1258.38	J/mol×K	889.41	Joback Calculated Property
Cp,gas	1290.09	J/mol×K	925.39	Joback Calculated Property
Cp,gas	1322.35	J/mol×K	961.37	Joback Calculated Property
Cp,gas	1355.48	J/mol×K	997.36	Joback Calculated Property
Cp,gas	1389.85	J/mol×K	1033.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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