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

InChI

InChI=1S/C24H44/c1-17(2)9-11-19-18(3)10-12-21-23(19,6)16-13-20-22(4,5)14-8-15-24(20,21)7/h17-21H,8-16H2,1-7H3/t18-,19+,20?,21?,23-,24-/m1/s1

InChI Key

NMRHSKVRUWBTQL-UOTPHTBUSA-N

Formula

C24H44

SMILES

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

Molecular Weight¹

332.61

• 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	0.5029		Relay (... Calculated Property
ΔfG°	223.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.62	kJ/mol	Relay (... Calculated Property
IE	8.78	eV	Relay (... Calculated Property
log10WS	-7.74		Relay (... Calculated Property
logPoct/wat	7.718		Crippen Calculated Property
McVol	316.440	ml/mol	McGowan Calculated Property
Pc	1114.08	kPa	Joback Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	631.01	K	Relay (... Calculated Property
Tc	864.07	K	Relay (... Calculated Property
Tfus	316.13	K	Relay (... Calculated Property
Vc	1.135	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1063.23; 1248.10]	J/mol×K	[771.69; 992.50]
Cp,gas	1063.23	J/mol×K	771.69	Joback Calculated Property
Cp,gas	1094.00	J/mol×K	808.49	Joback Calculated Property
Cp,gas	1124.30	J/mol×K	845.29	Joback Calculated Property
Cp,gas	1154.51	J/mol×K	882.09	Joback Calculated Property
Cp,gas	1184.97	J/mol×K	918.90	Joback Calculated Property
Cp,gas	1216.04	J/mol×K	955.70	Joback Calculated Property
Cp,gas	1248.10	J/mol×K	992.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1B-isopentyl-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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