Chemical Properties of onocerane-II

InChI

InChI=1S/C30H54/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h21-26H,9-20H2,1-8H3/t21?,22?,23-,24?,25-,26?,29+,30+/m1/s1

InChI Key

DDGSJGSDLIEJOJ-ADSPOEMRSA-N

Formula

C30H54

SMILES

CC1CCC2C(C)(C)CCCC2(C)C1CCC1C(C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

414.75

• 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°	279.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-481.69	kJ/mol	Joback Calculated Property
ΔfusH°	30.43	kJ/mol	Joback Calculated Property
ΔvapH°	76.94	kJ/mol	Joback Calculated Property
log10WS	-9.54		Crippen Calculated Property
logPoct/wat	9.524		Crippen Calculated Property
McVol	390.120	ml/mol	McGowan Calculated Property
Pc	867.09	kPa	Joback Calculated Property
Inp	[3012.00; 3012.00]
Inp	3012.00		NIST
Inp	3012.00		NIST
Tboil	919.86	K	Joback Calculated Property
Tc	1154.63	K	Joback Calculated Property
Tfus	541.62	K	Joback Calculated Property
Vc	1.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1481.83; 1766.93]	J/mol×K	[919.86; 1154.63]
Cp,gas	1481.83	J/mol×K	919.86	Joback Calculated Property
Cp,gas	1523.87	J/mol×K	958.99	Joback Calculated Property
Cp,gas	1567.37	J/mol×K	998.12	Joback Calculated Property
Cp,gas	1612.88	J/mol×K	1037.25	Joback Calculated Property
Cp,gas	1660.94	J/mol×K	1076.37	Joback Calculated Property
Cp,gas	1712.11	J/mol×K	1115.50	Joback Calculated Property
Cp,gas	1766.93	J/mol×K	1154.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to onocerane-II.

Sources

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

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