Chemical Properties of Hydroxy-copalic acid methyl ester

InChI

InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h13,16-18,22H,2,7-12H2,1,3-6H3/b14-13+/t16-,17-,18-,21+/m0/s1

InChI Key

ZPIMNSSFJAWUGM-GRKUEHCHSA-N

Formula

C21H34O3

SMILES

C=C1CCC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CC(=O)OC

Molecular Weight¹

334.49

• 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°	-81.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.71	kJ/mol	Joback Calculated Property
ΔfusH°	33.24	kJ/mol	Joback Calculated Property
ΔvapH°	85.66	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	4.656		Crippen Calculated Property
McVol	289.740	ml/mol	McGowan Calculated Property
Pc	1403.79	kPa	Joback Calculated Property
Inp	[2570.00; 2570.00]
Inp	2570.00		NIST
Inp	2570.00		NIST
Tboil	868.58	K	Joback Calculated Property
Tc	1079.40	K	Joback Calculated Property
Tfus	510.93	K	Joback Calculated Property
Vc	1.095	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[982.14; 1121.87]	J/mol×K	[868.58; 1079.40]
Cp,gas	982.14	J/mol×K	868.58	Joback Calculated Property
Cp,gas	1004.81	J/mol×K	903.72	Joback Calculated Property
Cp,gas	1027.45	J/mol×K	938.85	Joback Calculated Property
Cp,gas	1050.27	J/mol×K	973.99	Joback Calculated Property
Cp,gas	1073.47	J/mol×K	1009.13	Joback Calculated Property
Cp,gas	1097.27	J/mol×K	1044.27	Joback Calculated Property
Cp,gas	1121.87	J/mol×K	1079.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hydroxy-copalic acid methyl ester.

Sources

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

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