Chemical Properties of 24-Methylcycloartanol acetate

InChI

InChI=1S/C33H56O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21-23,25-28H,10-20H2,1-9H3/t22?,23?,25?,26-,27?,28?,30?,31-,32?,33?/m1/s1

InChI Key

CHKUWPNYFAUVKK-IAWCWMIVSA-N

Formula

C33H56O2

SMILES

CC(=O)OC1CCC23CC24CCC2(C)C(C(C)CCC(C)C(C)C)CCC2(C)C4CCC3C1(C)C

Molecular Weight¹

484.80

• 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°	194.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.73	kJ/mol	Joback Calculated Property
ΔfusH°	30.61	kJ/mol	Joback Calculated Property
ΔvapH°	90.13	kJ/mol	Joback Calculated Property
log10WS	-9.43		Crippen Calculated Property
logPoct/wat	9.066		Crippen Calculated Property
McVol	428.970	ml/mol	McGowan Calculated Property
Pc	817.26	kPa	Joback Calculated Property
Inp	[3449.00; 3449.00]
Inp	3449.00		NIST
Inp	3449.00		NIST
Tboil	1058.44	K	Joback Calculated Property
Tc	1300.47	K	Joback Calculated Property
Tfus	670.51	K	Joback Calculated Property
Vc	1.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1781.03; 2269.21]	J/mol×K	[1058.44; 1300.47]
Cp,gas	1781.03	J/mol×K	1058.44	Joback Calculated Property
Cp,gas	1844.44	J/mol×K	1098.78	Joback Calculated Property
Cp,gas	1913.92	J/mol×K	1139.12	Joback Calculated Property
Cp,gas	1990.32	J/mol×K	1179.46	Joback Calculated Property
Cp,gas	2074.44	J/mol×K	1219.79	Joback Calculated Property
Cp,gas	2167.13	J/mol×K	1260.13	Joback Calculated Property
Cp,gas	2269.21	J/mol×K	1300.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Methylcycloartanol acetate.

Sources

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

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