Chemical Properties of (20RS)-3«beta»-Acetoxylupan-29-al

InChI

InChI=1S/C32H52O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19-20,22-27H,9-18H2,1-8H3/t20?,22-,23?,24?,25?,26-,27?,29+,30-,31+,32+/m1/s1

InChI Key

UBKAWVIUQSENAF-PTSIISETSA-N

Formula

C32H52O3

SMILES

CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C(C)C=O)CCC4(C)CCC23C)C1(C)C

Molecular Weight¹

484.75

• 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	0.6662		Relay (... Calculated Property
ΔfG°	40.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-827.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.20	kJ/mol	Joback Calculated Property
ΔvapH°	143.25	kJ/mol	Relay (... Calculated Property
IE	8.47	eV	Relay (... Calculated Property
log10WS	-6.79		Relay (... Calculated Property
logPoct/wat	7.854		Crippen Calculated Property
McVol	416.450	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[3660.00; 3660.00]
Inp	3660.00		NIST
Inp	3660.00		NIST
Tboil	717.82	K	Relay (... Calculated Property
Tc	1044.10	K	Relay (... Calculated Property
Tfus	453.59	K	Relay (... Calculated Property
Vc	1.508	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1778.31; 2292.10]	J/mol×K	[1088.57; 1339.95]
Cp,gas	1778.31	J/mol×K	1088.57	Joback Calculated Property
Cp,gas	1844.89	J/mol×K	1130.47	Joback Calculated Property
Cp,gas	1917.94	J/mol×K	1172.36	Joback Calculated Property
Cp,gas	1998.33	J/mol×K	1214.26	Joback Calculated Property
Cp,gas	2086.92	J/mol×K	1256.16	Joback Calculated Property
Cp,gas	2184.56	J/mol×K	1298.05	Joback Calculated Property
Cp,gas	2292.10	J/mol×K	1339.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to (20RS)-3«beta»-Acetoxylupan-29-al.

Sources

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

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