Chemical Properties of Succinic acid, but-3-yn-2-yl trans-hex-3-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/h2,6-7,12H,4,8-11H2,1,3H3/b7-6+

InChI Key

TXANVQIBLUIBHM-VOTSOKGWSA-N

Formula

C14H20O4

SMILES

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

Molecular Weight¹

252.31

• 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	0.5969		Relay (... Calculated Property
ΔfG°	-99.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-632.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.24	kJ/mol	Joback Calculated Property
ΔvapH°	78.24	kJ/mol	Relay (... Calculated Property
IE	9.34	eV	Relay (... Calculated Property
log10WS	-2.84		Relay (... 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	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	538.43	K	Relay (... Calculated Property
Tc	715.74	K	Relay (... Calculated Property
Tfus	269.45	K	Relay (... Calculated Property
Vc	0.739	m3/kmol	Relay (... 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 trans-hex-3-en-1-yl ester.

Sources

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

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