Chemical Properties of 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester

InChI

InChI=1S/C31H52O2/c1-20(26(32)33-8)21-12-17-28(4)22(21)13-18-30(6)24(28)10-11-25-29(5)16-9-15-27(2,3)23(29)14-19-31(25,30)7/h20-25H,9-19H2,1-8H3/t20-,21-,22+,23?,24?,25?,28+,29+,30-,31-/m0/s1

InChI Key

YUHMMAGHEGZDPT-HNQONKNXSA-N

Formula

C31H52O2

SMILES

COC(=O)C(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

Molecular Weight¹

456.74

• 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°	138.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.71	kJ/mol	Joback Calculated Property
ΔfusH°	27.25	kJ/mol	Joback Calculated Property
ΔvapH°	86.67	kJ/mol	Joback Calculated Property
log10WS	-8.48		Crippen Calculated Property
logPoct/wat	8.287		Crippen Calculated Property
McVol	400.790	ml/mol	McGowan Calculated Property
Pc	929.51	kPa	Joback Calculated Property
Inp	[3582.00; 3582.00]
Inp	3582.00		NIST
Inp	3582.00		NIST
Tboil	1021.70	K	Joback Calculated Property
Tc	1268.46	K	Joback Calculated Property
Tfus	663.17	K	Joback Calculated Property
Vc	1.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1634.26; 2068.33]	J/mol×K	[1021.70; 1268.46]
Cp,gas	1634.26	J/mol×K	1021.70	Joback Calculated Property
Cp,gas	1691.17	J/mol×K	1062.83	Joback Calculated Property
Cp,gas	1753.16	J/mol×K	1103.95	Joback Calculated Property
Cp,gas	1821.06	J/mol×K	1145.08	Joback Calculated Property
Cp,gas	1895.67	J/mol×K	1186.21	Joback Calculated Property
Cp,gas	1977.82	J/mol×K	1227.33	Joback Calculated Property
Cp,gas	2068.33	J/mol×K	1268.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester.

Sources

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

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