Chemical Properties of Succinic acid, hex-4-yn-3-yl pent-4-en-2-yl ester

InChI

InChI=1S/C15H22O4/c1-5-8-12(4)18-14(16)10-11-15(17)19-13(7-3)9-6-2/h5,12-13H,1,7-8,10-11H2,2-4H3

InChI Key

FXVINYCKOQKHNO-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

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

Molecular Weight¹

266.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6037		Relay (1.0) Calculated Property
ΔfG°	-106.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-627.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.98	kJ/mol	Joback Calculated Property
ΔvapH°	77.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	2.619		Crippen Calculated Property
McVol	224.190	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[1735.00; 1735.00]
Inp	1735.00		NIST
Inp	1735.00		NIST
Tboil	544.23	K	Relay (1.0) Calculated Property
Tc	726.11	K	Relay (1.0) Calculated Property
Tfus	274.25	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.81; 690.10]	J/mol×K	[699.98; 898.37]
Cp,gas	609.81	J/mol×K	699.98	Joback Calculated Property
Cp,gas	625.32	J/mol×K	733.04	Joback Calculated Property
Cp,gas	639.96	J/mol×K	766.11	Joback Calculated Property
Cp,gas	653.75	J/mol×K	799.17	Joback Calculated Property
Cp,gas	666.70	J/mol×K	832.24	Joback Calculated Property
Cp,gas	678.82	J/mol×K	865.30	Joback Calculated Property
Cp,gas	690.10	J/mol×K	898.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl pent-4-en-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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