Chemical Properties of Acetoxy-copalic acid methyl ester

InChI

InChI=1S/C23H36O4/c1-15(14-21(25)26-7)8-10-18-16(2)9-11-19-22(4,5)20(27-17(3)24)12-13-23(18,19)6/h14,18-20H,2,8-13H2,1,3-7H3/b15-14+/t18-,19-,20-,23+/m1/s1

InChI Key

LODVZNAZFNRTCG-XDARRNPMSA-N

Formula

C23H36O4

SMILES

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

Molecular Weight¹

376.53

• 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°	-161.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.56	kJ/mol	Joback Calculated Property
ΔfusH°	37.12	kJ/mol	Joback Calculated Property
ΔvapH°	82.59	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	5.226		Crippen Calculated Property
McVol	319.490	ml/mol	McGowan Calculated Property
Pc	1183.34	kPa	Joback Calculated Property
Inp	[2634.00; 2634.00]
Inp	2634.00		NIST
Inp	2634.00		NIST
Tboil	898.45	K	Joback Calculated Property
Tc	1118.15	K	Joback Calculated Property
Tfus	544.81	K	Joback Calculated Property
Vc	1.212	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1090.67; 1242.86]	J/mol×K	[898.45; 1118.15]
Cp,gas	1090.67	J/mol×K	898.45	Joback Calculated Property
Cp,gas	1115.47	J/mol×K	935.07	Joback Calculated Property
Cp,gas	1140.20	J/mol×K	971.68	Joback Calculated Property
Cp,gas	1165.09	J/mol×K	1008.30	Joback Calculated Property
Cp,gas	1190.35	J/mol×K	1044.92	Joback Calculated Property
Cp,gas	1216.20	J/mol×K	1081.54	Joback Calculated Property
Cp,gas	1242.86	J/mol×K	1118.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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