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

InChI

InChI=1S/C16H18O4/c1-5-12(3)19-15(17)9-10-16(18)20-14-8-6-7-11(2)13(14)4/h1,6-8,12H,9-10H2,2-4H3

InChI Key

VAVKTOJIXWXKDO-UHFFFAOYSA-N

Formula

C16H18O4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

274.31

• 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°	-70.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.96	kJ/mol	Joback Calculated Property
ΔfusH°	35.49	kJ/mol	Joback Calculated Property
ΔvapH°	72.59	kJ/mol	Joback Calculated Property
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	2.554		Crippen Calculated Property
McVol	218.820	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	744.38	K	Joback Calculated Property
Tc	960.36	K	Joback Calculated Property
Tfus	497.83	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[597.32; 668.64]	J/mol×K	[744.38; 960.36]
Cp,gas	597.32	J/mol×K	744.38	Joback Calculated Property
Cp,gas	611.61	J/mol×K	780.38	Joback Calculated Property
Cp,gas	624.92	J/mol×K	816.37	Joback Calculated Property
Cp,gas	637.27	J/mol×K	852.37	Joback Calculated Property
Cp,gas	648.67	J/mol×K	888.36	Joback Calculated Property
Cp,gas	659.12	J/mol×K	924.36	Joback Calculated Property
Cp,gas	668.64	J/mol×K	960.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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