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

InChI

InChI=1S/C13H18O4/c1-4-6-7-10-16-12(14)8-9-13(15)17-11(3)5-2/h2,6-7,11H,4,8-10H2,1,3H3/b7-6-

InChI Key

XMRSYNBCSDHMEZ-SREVYHEPSA-N

Formula

C13H18O4

SMILES

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

Molecular Weight¹

238.28

• 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	0.5616		Relay (... Calculated Property
ΔfG°	-108.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-607.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.65	kJ/mol	Joback Calculated Property
ΔvapH°	75.10	kJ/mol	Relay (... Calculated Property
IE	9.47	eV	Relay (... Calculated Property
log10WS	-2.70		Relay (... Calculated Property
logPoct/wat	1.841		Crippen Calculated Property
McVol	196.010	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1591.00; 1591.00]
Inp	1591.00		NIST
Inp	1591.00		NIST
Tboil	524.27	K	Relay (... Calculated Property
Tc	703.56	K	Relay (... Calculated Property
Tfus	273.85	K	Relay (... Calculated Property
Vc	0.684	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.36; 574.82]	J/mol×K	[643.26; 838.20]
Cp,gas	502.36	J/mol×K	643.26	Joback Calculated Property
Cp,gas	516.19	J/mol×K	675.75	Joback Calculated Property
Cp,gas	529.29	J/mol×K	708.24	Joback Calculated Property
Cp,gas	541.69	J/mol×K	740.73	Joback Calculated Property
Cp,gas	553.40	J/mol×K	773.22	Joback Calculated Property
Cp,gas	564.44	J/mol×K	805.71	Joback Calculated Property
Cp,gas	574.82	J/mol×K	838.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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