Chemical Properties of Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester

InChI

InChI=1S/C15H22O4/c1-4-12(3)18-14(16)9-10-15(17)19-13-7-5-11(2)6-8-13/h1,11-13H,5-10H2,2-3H3

InChI Key

GVMREGMLJWCQHZ-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

C#CC(C)OC(=O)CCC(=O)OC1CCC(C)CC1

Molecular Weight¹

266.33

• 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°	-155.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.93	kJ/mol	Joback Calculated Property
ΔfusH°	32.54	kJ/mol	Joback Calculated Property
ΔvapH°	66.89	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	2.453		Crippen Calculated Property
McVol	217.630	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	699.74	K	Joback Calculated Property
Tc	911.37	K	Joback Calculated Property
Tfus	438.24	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.25; 716.67]	J/mol×K	[699.74; 911.37]
Cp,gas	625.25	J/mol×K	699.74	Joback Calculated Property
Cp,gas	643.39	J/mol×K	735.01	Joback Calculated Property
Cp,gas	660.35	J/mol×K	770.28	Joback Calculated Property
Cp,gas	676.15	J/mol×K	805.56	Joback Calculated Property
Cp,gas	690.79	J/mol×K	840.83	Joback Calculated Property
Cp,gas	704.30	J/mol×K	876.10	Joback Calculated Property
Cp,gas	716.67	J/mol×K	911.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester.

Sources

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

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