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

InChI

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

InChI Key

HXFUFCGOFAUJKX-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

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

Molecular Weight¹

254.32

• 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°	-179.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.30	kJ/mol	Joback Calculated Property
ΔfusH°	26.11	kJ/mol	Joback Calculated Property
ΔvapH°	62.86	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	2.309		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1531.00; 1531.00]
Inp	1531.00		NIST
Inp	1531.00		NIST
Tboil	658.31	K	Joback Calculated Property
Tc	856.92	K	Joback Calculated Property
Tfus	411.25	K	Joback Calculated Property
Vc	0.806	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.23; 660.48]	J/mol×K	[658.31; 856.92]
Cp,gas	579.23	J/mol×K	658.31	Joback Calculated Property
Cp,gas	594.93	J/mol×K	691.41	Joback Calculated Property
Cp,gas	609.73	J/mol×K	724.51	Joback Calculated Property
Cp,gas	623.67	J/mol×K	757.61	Joback Calculated Property
Cp,gas	636.75	J/mol×K	790.72	Joback Calculated Property
Cp,gas	649.01	J/mol×K	823.82	Joback Calculated Property
Cp,gas	660.48	J/mol×K	856.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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