Chemical Properties of Perhydrophenanthrene, 1-ethyl-4bB,8,8,10aB-tetramethyl

InChI

InChI=1S/C20H36/c1-6-15-9-7-10-17-19(15,4)14-11-16-18(2,3)12-8-13-20(16,17)5/h15-17H,6-14H2,1-5H3/t15?,16?,17?,19-,20-/m0/s1

InChI Key

OLOGNINMFUDASI-GTSVPISWSA-N

Formula

C20H36

SMILES

CCC1CCCC2C1(C)CCC1C(C)(C)CCCC12C

Molecular Weight¹

276.50

• 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°	199.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-283.83	kJ/mol	Joback Calculated Property
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
ΔvapH°	56.33	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	6.445		Crippen Calculated Property
McVol	260.080	ml/mol	McGowan Calculated Property
Pc	1494.19	kPa	Joback Calculated Property
Inp	[2061.00; 2061.00]
Inp	2061.00		NIST
Inp	2061.00		NIST
Tboil	685.28	K	Joback Calculated Property
Tc	917.18	K	Joback Calculated Property
Tfus	410.36	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.77; 977.79]	J/mol×K	[685.28; 917.18]
Cp,gas	811.77	J/mol×K	685.28	Joback Calculated Property
Cp,gas	840.70	J/mol×K	723.93	Joback Calculated Property
Cp,gas	868.58	J/mol×K	762.58	Joback Calculated Property
Cp,gas	895.82	J/mol×K	801.23	Joback Calculated Property
Cp,gas	922.83	J/mol×K	839.88	Joback Calculated Property
Cp,gas	950.02	J/mol×K	878.53	Joback Calculated Property
Cp,gas	977.79	J/mol×K	917.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1-ethyl-4bB,8,8,10aB-tetramethyl.

Sources

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

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