Chemical Properties of Urs-12-en-3-ol, acetate, (3«beta»)- (CAS 863-76-3)

InChI

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20?,21?,24?,25?,26-,27?,29?,30?,31?,32?/m0/s1

InChI Key

UDXDFWBZZQHDRO-KDSIQCFSSA-N

Formula

C32H52O2

SMILES

CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC23C)C1(C)C

Molecular Weight¹

468.75

CAS

863-76-3

Other Names

• Urs-12-en-3«beta»-ol, acetate
• «alpha»-Amyrenyl acetate
• «alpha»-Amyrin acetate

• 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°	150.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-627.26	kJ/mol	Joback Calculated Property
ΔfusH°	33.17	kJ/mol	Joback Calculated Property
ΔvapH°	90.10	kJ/mol	Joback Calculated Property
log10WS	-9.10		Crippen Calculated Property
logPoct/wat	8.596		Crippen Calculated Property
McVol	410.580	ml/mol	McGowan Calculated Property
Pc	880.00	kPa	Joback Calculated Property
Inp	[3486.60; 3486.60]
Inp	3486.60		NIST
Inp	3486.60		NIST
Tboil	1048.76	K	Joback Calculated Property
Tc	1298.05	K	Joback Calculated Property
Tfus	694.96	K	Joback Calculated Property
Vc	1.550	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1696.11; 2156.06]	J/mol×K	[1048.76; 1298.05]
Cp,gas	1696.11	J/mol×K	1048.76	Joback Calculated Property
Cp,gas	1756.43	J/mol×K	1090.31	Joback Calculated Property
Cp,gas	1822.21	J/mol×K	1131.86	Joback Calculated Property
Cp,gas	1894.24	J/mol×K	1173.40	Joback Calculated Property
Cp,gas	1973.35	J/mol×K	1214.95	Joback Calculated Property
Cp,gas	2060.35	J/mol×K	1256.50	Joback Calculated Property
Cp,gas	2156.06	J/mol×K	1298.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Urs-12-en-3-ol, acetate, (3«beta»)-.

Sources

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

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