Chemical Properties of 24-Methylenedammarenol acetate

InChI

InChI=1S/C33H56O2/c1-21(2)22(3)11-12-23(4)25-15-19-32(9)26(25)13-14-28-31(8)18-17-29(35-24(5)34)30(6,7)27(31)16-20-33(28,32)10/h21,23,25-29H,3,11-20H2,1-2,4-10H3/t23?,25?,26?,27-,28?,29?,31?,32+,33?/m1/s1

InChI Key

KESQYNXPZBWPEM-JSRWNDPESA-N

Formula

C33H56O2

SMILES

C=C(CCC(C)C1CCC2(C)C1CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC12C)C(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°	189.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.51	kJ/mol	Joback Calculated Property
ΔfusH°	36.58	kJ/mol	Joback Calculated Property
ΔvapH°	91.20	kJ/mol	Joback Calculated Property
log10WS	-9.63		Crippen Calculated Property
logPoct/wat	9.232		Crippen Calculated Property
McVol	435.530	ml/mol	McGowan Calculated Property
Pc	764.37	kPa	Joback Calculated Property
Inp	[3381.00; 3381.00]
Inp	3381.00		NIST
Inp	3381.00		NIST
Tboil	1052.33	K	Joback Calculated Property
Tc	1292.21	K	Joback Calculated Property
Tfus	616.67	K	Joback Calculated Property
Vc	1.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1756.23; 2140.70]	J/mol×K	[1052.33; 1292.21]
Cp,gas	1756.23	J/mol×K	1052.33	Joback Calculated Property
Cp,gas	1808.78	J/mol×K	1092.31	Joback Calculated Property
Cp,gas	1865.11	J/mol×K	1132.29	Joback Calculated Property
Cp,gas	1925.84	J/mol×K	1172.27	Joback Calculated Property
Cp,gas	1991.60	J/mol×K	1212.25	Joback Calculated Property
Cp,gas	2063.01	J/mol×K	1252.23	Joback Calculated Property
Cp,gas	2140.70	J/mol×K	1292.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Methylenedammarenol acetate.

Sources

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

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