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

InChI

InChI=1S/C13H20O4/c1-5-10(3)9-16-12(14)7-8-13(15)17-11(4)6-2/h2,10-11H,5,7-9H2,1,3-4H3

InChI Key

YZQJYQAKUKHHJL-UHFFFAOYSA-N

Formula

C13H20O4

SMILES

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

Molecular Weight¹

240.30

• 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°	-191.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.91	kJ/mol	Joback Calculated Property
ΔfusH°	30.93	kJ/mol	Joback Calculated Property
ΔvapH°	61.93	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	1.921		Crippen Calculated Property
McVol	200.310	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[1539.00; 1539.00]
Inp	1539.00		NIST
Inp	1539.00		NIST
Tboil	638.66	K	Joback Calculated Property
Tc	829.97	K	Joback Calculated Property
Tfus	397.56	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.25; 601.20]	J/mol×K	[638.66; 829.97]
Cp,gas	524.25	J/mol×K	638.66	Joback Calculated Property
Cp,gas	538.88	J/mol×K	670.54	Joback Calculated Property
Cp,gas	552.78	J/mol×K	702.43	Joback Calculated Property
Cp,gas	565.96	J/mol×K	734.31	Joback Calculated Property
Cp,gas	578.41	J/mol×K	766.20	Joback Calculated Property
Cp,gas	590.16	J/mol×K	798.08	Joback Calculated Property
Cp,gas	601.20	J/mol×K	829.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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