Chemical Properties of Succinic acid, but-3-yn-2-yl cis-hex-2-en-1-yl ester

InChI

InChI=1S/C14H20O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,7-8,12H,4,6,9-11H2,1,3H3/b8-7-

InChI Key

XKPSVFSAJQUZQW-FPLPWBNLSA-N

Formula

C14H20O4

SMILES

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

Molecular Weight¹

252.31

• 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°	-99.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-418.05	kJ/mol	Joback Calculated Property
ΔfusH°	37.24	kJ/mol	Joback Calculated Property
ΔvapH°	64.50	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	2.231		Crippen Calculated Property
McVol	210.100	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[1688.00; 1688.00]
Inp	1688.00		NIST
Inp	1688.00		NIST
Tboil	666.14	K	Joback Calculated Property
Tc	859.01	K	Joback Calculated Property
Tfus	418.75	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.93; 629.23]	J/mol×K	[666.14; 859.01]
Cp,gas	553.93	J/mol×K	666.14	Joback Calculated Property
Cp,gas	568.31	J/mol×K	698.28	Joback Calculated Property
Cp,gas	581.93	J/mol×K	730.43	Joback Calculated Property
Cp,gas	594.82	J/mol×K	762.57	Joback Calculated Property
Cp,gas	606.99	J/mol×K	794.72	Joback Calculated Property
Cp,gas	618.45	J/mol×K	826.86	Joback Calculated Property
Cp,gas	629.23	J/mol×K	859.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl cis-hex-2-en-1-yl ester.

Sources

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

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