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

InChI

InChI=1S/C15H15ClO4/c1-4-11(3)19-14(17)7-8-15(18)20-13-6-5-12(16)9-10(13)2/h1,5-6,9,11H,7-8H2,2-3H3

InChI Key

YUYAGVZENGEQMK-UHFFFAOYSA-N

Formula

C15H15ClO4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

294.73

• 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°	-90.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.06	kJ/mol	Joback Calculated Property
ΔfusH°	37.09	kJ/mol	Joback Calculated Property
ΔvapH°	74.75	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	2.899		Crippen Calculated Property
McVol	216.970	ml/mol	McGowan Calculated Property
Pc	2171.40	kPa	Joback Calculated Property
Inp	[2013.00; 2013.00]
Inp	2013.00		NIST
Inp	2013.00		NIST
Tboil	758.93	K	Joback Calculated Property
Tc	981.00	K	Joback Calculated Property
Tfus	516.48	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.37; 630.93]	J/mol×K	[758.93; 981.00]
Cp,gas	568.37	J/mol×K	758.93	Joback Calculated Property
Cp,gas	581.15	J/mol×K	795.94	Joback Calculated Property
Cp,gas	592.96	J/mol×K	832.95	Joback Calculated Property
Cp,gas	603.84	J/mol×K	869.97	Joback Calculated Property
Cp,gas	613.78	J/mol×K	906.98	Joback Calculated Property
Cp,gas	622.81	J/mol×K	943.99	Joback Calculated Property
Cp,gas	630.93	J/mol×K	981.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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