Chemical Properties of Succinic acid, but-3-yn-2-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C16H18O5/c1-5-12(3)20-15(17)8-9-16(18)21-14-10-11(2)6-7-13(14)19-4/h1,6-7,10,12H,8-9H2,2-4H3

InChI Key

ZWKQJGKUYPFNDC-UHFFFAOYSA-N

Formula

C16H18O5

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

290.31

• 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°	-175.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.18	kJ/mol	Joback Calculated Property
ΔfusH°	36.67	kJ/mol	Joback Calculated Property
ΔvapH°	75.00	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	2.254		Crippen Calculated Property
McVol	224.690	ml/mol	McGowan Calculated Property
Pc	2025.41	kPa	Joback Calculated Property
Inp	[2090.00; 2090.00]
Inp	2090.00		NIST
Inp	2090.00		NIST
Tboil	766.80	K	Joback Calculated Property
Tc	980.95	K	Joback Calculated Property
Tfus	520.06	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.93; 692.27]	J/mol×K	[766.80; 980.95]
Cp,gas	623.93	J/mol×K	766.80	Joback Calculated Property
Cp,gas	637.85	J/mol×K	802.49	Joback Calculated Property
Cp,gas	650.76	J/mol×K	838.18	Joback Calculated Property
Cp,gas	662.66	J/mol×K	873.88	Joback Calculated Property
Cp,gas	673.55	J/mol×K	909.57	Joback Calculated Property
Cp,gas	683.42	J/mol×K	945.26	Joback Calculated Property
Cp,gas	692.27	J/mol×K	980.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 2-methoxy-5-methylphenyl ester.

Sources

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

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