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

InChI

InChI=1S/C15H16O5/c1-4-11(2)19-14(16)9-10-15(17)20-13-8-6-5-7-12(13)18-3/h1,5-8,11H,9-10H2,2-3H3

InChI Key

VHAPNBSNNMBLQZ-UHFFFAOYSA-N

Formula

C15H16O5

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccccc1OC

Molecular Weight¹

276.28

• 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°	-174.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-463.07	kJ/mol	Joback Calculated Property
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
ΔvapH°	72.11	kJ/mol	Joback Calculated Property
log10WS	-3.19		Crippen Calculated Property
logPoct/wat	1.946		Crippen Calculated Property
McVol	210.600	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1984.00; 1984.00]
Inp	1984.00		NIST
Inp	1984.00		NIST
Tboil	738.94	K	Joback Calculated Property
Tc	955.06	K	Joback Calculated Property
Tfus	496.27	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.07; 638.43]	J/mol×K	[738.94; 955.06]
Cp,gas	571.07	J/mol×K	738.94	Joback Calculated Property
Cp,gas	584.74	J/mol×K	774.96	Joback Calculated Property
Cp,gas	597.44	J/mol×K	810.98	Joback Calculated Property
Cp,gas	609.15	J/mol×K	847.00	Joback Calculated Property
Cp,gas	619.89	J/mol×K	883.02	Joback Calculated Property
Cp,gas	629.65	J/mol×K	919.04	Joback Calculated Property
Cp,gas	638.43	J/mol×K	955.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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