Chemical Properties of Perhydrophenanthrene, 1B-ethyl-2B,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C21H38/c1-7-16-15(2)9-10-18-20(16,5)14-11-17-19(3,4)12-8-13-21(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16-,17?,18?,20+,21+/m1/s1

InChI Key

WDSHDPRMSZAAGE-NELBKZFDSA-N

Formula

C21H38

SMILES

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

Molecular Weight¹

290.53

• 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°	200.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.81	kJ/mol	Joback Calculated Property
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔvapH°	58.25	kJ/mol	Joback Calculated Property
log10WS	-6.61		Crippen Calculated Property
logPoct/wat	6.691		Crippen Calculated Property
McVol	274.170	ml/mol	McGowan Calculated Property
Pc	1355.63	kPa	Joback Calculated Property
Inp	[2112.00; 2112.00]
Inp	2112.00		NIST
Inp	2112.00		NIST
Tboil	703.49	K	Joback Calculated Property
Tc	931.16	K	Joback Calculated Property
Tfus	417.39	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.62; 1044.61]	J/mol×K	[703.49; 931.16]
Cp,gas	873.62	J/mol×K	703.49	Joback Calculated Property
Cp,gas	903.18	J/mol×K	741.43	Joback Calculated Property
Cp,gas	931.80	J/mol×K	779.38	Joback Calculated Property
Cp,gas	959.87	J/mol×K	817.32	Joback Calculated Property
Cp,gas	987.78	J/mol×K	855.27	Joback Calculated Property
Cp,gas	1015.89	J/mol×K	893.21	Joback Calculated Property
Cp,gas	1044.61	J/mol×K	931.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1B-ethyl-2B,4bB,8,8,10aB-pentamethyl.

Sources

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

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