Chemical Properties of Succinic acid, but-3-yn-2-yl 3,5-dichlorophenyl ester

InChI

InChI=1S/C14H12Cl2O4/c1-3-9(2)19-13(17)4-5-14(18)20-12-7-10(15)6-11(16)8-12/h1,6-9H,4-5H2,2H3

InChI Key

VGEYTAIYMLOLHR-UHFFFAOYSA-N

Formula

C14H12Cl2O4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1cc(Cl)cc(Cl)c1

Molecular Weight¹

315.15

• 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°	-110.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-353.16	kJ/mol	Joback Calculated Property
ΔfusH°	38.70	kJ/mol	Joback Calculated Property
ΔvapH°	76.91	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.244		Crippen Calculated Property
McVol	215.120	ml/mol	McGowan Calculated Property
Pc	2295.91	kPa	Joback Calculated Property
Inp	[2094.00; 2094.00]
Inp	2094.00		NIST
Inp	2094.00		NIST
Tboil	773.48	K	Joback Calculated Property
Tc	1001.77	K	Joback Calculated Property
Tfus	535.13	K	Joback Calculated Property
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.07; 591.72]	J/mol×K	[773.48; 1001.77]
Cp,gas	538.07	J/mol×K	773.48	Joback Calculated Property
Cp,gas	549.29	J/mol×K	811.53	Joback Calculated Property
Cp,gas	559.57	J/mol×K	849.58	Joback Calculated Property
Cp,gas	568.95	J/mol×K	887.62	Joback Calculated Property
Cp,gas	577.42	J/mol×K	925.67	Joback Calculated Property
Cp,gas	585.01	J/mol×K	963.72	Joback Calculated Property
Cp,gas	591.72	J/mol×K	1001.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 3,5-dichlorophenyl ester.

Sources

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

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