Chemical Properties of 31-Norcyclolaudenol acetate

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)9-10-22(4)24-11-12-25-26-13-14-27-29(6,7)28(34-23(5)33)15-16-32(27)19-31(26,32)18-17-30(24,25)8/h21-22,24-28H,1,9-19H2,2-8H3/t21?,22?,24?,25?,26?,27-,28?,30?,31?,32?/m1/s1

InChI Key

QIUMNCOQNZKHEF-MNTLUMBWSA-N

Formula

C32H52O2

SMILES

C=C(C)C(C)CCC(C)C1CCC2C3CCC4C(C)(C)C(OC(C)=O)CCC45CC35CCC12C

Molecular Weight¹

468.75

• 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°	273.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-518.41	kJ/mol	Joback Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	88.86	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	861.00	kPa	Joback Calculated Property
Inp	[3367.00; 3367.00]
Inp	3367.00		NIST
Inp	3367.00		NIST
Tboil	1032.32	K	Joback Calculated Property
Tc	1270.96	K	Joback Calculated Property
Tfus	634.62	K	Joback Calculated Property
Vc	1.571	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1649.30; 2035.52]	J/mol×K	[1032.32; 1270.96]
Cp,gas	1649.30	J/mol×K	1032.32	Joback Calculated Property
Cp,gas	1700.86	J/mol×K	1072.09	Joback Calculated Property
Cp,gas	1756.63	J/mol×K	1111.87	Joback Calculated Property
Cp,gas	1817.30	J/mol×K	1151.64	Joback Calculated Property
Cp,gas	1883.55	J/mol×K	1191.41	Joback Calculated Property
Cp,gas	1956.06	J/mol×K	1231.19	Joback Calculated Property
Cp,gas	2035.52	J/mol×K	1270.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 31-Norcyclolaudenol acetate.

Sources

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

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