Chemical Properties of Urs-12-ene (CAS 464-97-1)

InChI

InChI=1S/C30H50/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h10,20-21,23-25H,9,11-19H2,1-8H3

InChI Key

DGXIUFDVYPIXCI-UHFFFAOYSA-N

Formula

C30H50

SMILES

CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCCC(C)(C)C5CCC43C)C2C1C

Molecular Weight¹

410.72

CAS

464-97-1

• 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°	375.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.84	kJ/mol	Joback Calculated Property
ΔfusH°	24.13	kJ/mol	Joback Calculated Property
ΔvapH°	76.80	kJ/mol	Joback Calculated Property
log10WS	-9.29		Crippen Calculated Property
logPoct/wat	9.054		Crippen Calculated Property
McVol	374.960	ml/mol	McGowan Calculated Property
Pc	981.46	kPa	Joback Calculated Property
Inp	[5002.00; 5002.00]
Inp	5002.00		NIST
Inp	5002.00		NIST
Tboil	931.38	K	Joback Calculated Property
Tc	1179.69	K	Joback Calculated Property
Tfus	604.50	K	Joback Calculated Property
Vc	1.415	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1432.64; 1789.28]	J/mol×K	[931.38; 1179.69]
Cp,gas	1432.64	J/mol×K	931.38	Joback Calculated Property
Cp,gas	1480.45	J/mol×K	972.76	Joback Calculated Property
Cp,gas	1531.81	J/mol×K	1014.15	Joback Calculated Property
Cp,gas	1587.53	J/mol×K	1055.53	Joback Calculated Property
Cp,gas	1648.46	J/mol×K	1096.92	Joback Calculated Property
Cp,gas	1715.43	J/mol×K	1138.30	Joback Calculated Property
Cp,gas	1789.28	J/mol×K	1179.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Urs-12-ene.

Sources

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

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