Chemical Properties of Succinic acid, but-3-yn-2-yl 4-methylpent-2-yl ester

InChI

InChI=1S/C14H22O4/c1-6-11(4)17-13(15)7-8-14(16)18-12(5)9-10(2)3/h1,10-12H,7-9H2,2-5H3

InChI Key

DVDTXJBVPTXCOA-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

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

Molecular Weight¹

254.32

• 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	0.6126		Relay (1.0) Calculated Property
ΔfG°	-185.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-718.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.00	kJ/mol	Joback Calculated Property
ΔvapH°	75.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.309		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[1528.00; 1528.00]
Inp	1528.00		NIST
Inp	1528.00		NIST
Tboil	522.11	K	Relay (1.0) Calculated Property
Tc	699.71	K	Relay (1.0) Calculated Property
Tfus	286.96	K	Relay (1.0) Calculated Property
Vc	0.767	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.87; 657.64]	J/mol×K	[661.10; 853.68]
Cp,gas	576.87	J/mol×K	661.10	Joback Calculated Property
Cp,gas	592.31	J/mol×K	693.20	Joback Calculated Property
Cp,gas	606.96	J/mol×K	725.29	Joback Calculated Property
Cp,gas	620.80	J/mol×K	757.39	Joback Calculated Property
Cp,gas	633.86	J/mol×K	789.49	Joback Calculated Property
Cp,gas	646.13	J/mol×K	821.58	Joback Calculated Property
Cp,gas	657.64	J/mol×K	853.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 4-methylpent-2-yl ester.

Sources

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

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