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

InChI

InChI=1S/C14H13ClO4/c1-3-10(2)18-13(16)8-9-14(17)19-12-7-5-4-6-11(12)15/h1,4-7,10H,8-9H2,2H3

InChI Key

BCMMGLNMLSSRTN-UHFFFAOYSA-N

Formula

C14H13ClO4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccccc1Cl

Molecular Weight¹

280.70

• 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°	-89.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-325.95	kJ/mol	Joback Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	71.86	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	202.880	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[1929.00; 1929.00]
Inp	1929.00		NIST
Inp	1929.00		NIST
Tboil	731.07	K	Joback Calculated Property
Tc	955.87	K	Joback Calculated Property
Tfus	492.69	K	Joback Calculated Property
Vc	0.764	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.09; 577.97]	J/mol×K	[731.07; 955.87]
Cp,gas	517.09	J/mol×K	731.07	Joback Calculated Property
Cp,gas	529.53	J/mol×K	768.54	Joback Calculated Property
Cp,gas	541.03	J/mol×K	806.00	Joback Calculated Property
Cp,gas	551.60	J/mol×K	843.47	Joback Calculated Property
Cp,gas	561.28	J/mol×K	880.94	Joback Calculated Property
Cp,gas	570.06	J/mol×K	918.40	Joback Calculated Property
Cp,gas	577.97	J/mol×K	955.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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