Chemical Properties of «beta»-Amyrin acetate (CAS 1616-93-9)

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23?,24?,25?,26-,29?,30?,31?,32?/m0/s1

InChI Key

UMRPOGLIBDXFNK-CFBPMWJOSA-N

Formula

C32H52O2

SMILES

CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C

Molecular Weight¹

468.75

CAS

1616-93-9

Other Names

• «beta»-Amyrin (12-oleanenol) acetate

• 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	0.6048		Relay (1.0) Calculated Property
ΔfG°	152.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-712.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.80	kJ/mol	Joback Calculated Property
ΔvapH°	135.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	8.740		Crippen Calculated Property
McVol	410.580	ml/mol	McGowan Calculated Property
Pc	922.18	kPa	Joback Calculated Property
Inp	[3339.00; 3437.70]
Inp	3339.00		NIST
Inp	3437.70		NIST
Inp	3437.70		NIST
Inp	3339.00		NIST
Tboil	707.04	K	Relay (1.0) Calculated Property
Tc	1005.44	K	Relay (1.0) Calculated Property
Tfus	449.16	K	Relay (1.0) Calculated Property
Vc	1.512	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1711.32; 2263.13]	J/mol×K	[1053.67; 1307.40]
Cp,gas	1711.32	J/mol×K	1053.67	Joback Calculated Property
Cp,gas	1781.21	J/mol×K	1095.96	Joback Calculated Property
Cp,gas	1858.58	J/mol×K	1138.25	Joback Calculated Property
Cp,gas	1944.46	J/mol×K	1180.54	Joback Calculated Property
Cp,gas	2039.84	J/mol×K	1222.82	Joback Calculated Property
Cp,gas	2145.73	J/mol×K	1265.11	Joback Calculated Property
Cp,gas	2263.13	J/mol×K	1307.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Amyrin acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.