Chemical Properties of Succinic acid, but-3-yn-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C15H15ClO5/c1-4-10(2)20-14(17)7-8-15(18)21-12-6-5-11(16)9-13(12)19-3/h1,5-6,9-10H,7-8H2,2-3H3

InChI Key

OEKQYXBIIGXJHW-UHFFFAOYSA-N

Formula

C15H15ClO5

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

310.73

• 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°	-195.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-490.28	kJ/mol	Joback Calculated Property
ΔfusH°	38.28	kJ/mol	Joback Calculated Property
ΔvapH°	77.16	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	2.599		Crippen Calculated Property
McVol	222.840	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[2172.00; 2172.00]
Inp	2172.00		NIST
Inp	2172.00		NIST
Tboil	781.35	K	Joback Calculated Property
Tc	1001.31	K	Joback Calculated Property
Tfus	538.71	K	Joback Calculated Property
Vc	0.839	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.97; 653.50]	J/mol×K	[781.35; 1001.31]
Cp,gas	593.97	J/mol×K	781.35	Joback Calculated Property
Cp,gas	606.39	J/mol×K	818.01	Joback Calculated Property
Cp,gas	617.81	J/mol×K	854.67	Joback Calculated Property
Cp,gas	628.24	J/mol×K	891.33	Joback Calculated Property
Cp,gas	637.66	J/mol×K	927.99	Joback Calculated Property
Cp,gas	646.09	J/mol×K	964.65	Joback Calculated Property
Cp,gas	653.50	J/mol×K	1001.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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