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

InChI

InChI=1S/C13H20O4/c1-6-10(4)16-12(14)7-8-13(15)17-11(5)9(2)3/h1,9-11H,7-8H2,2-5H3

InChI Key

JEWISMGVIZJBAG-UHFFFAOYSA-N

Formula

C13H20O4

SMILES

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

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°	-193.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.19	kJ/mol	Joback Calculated Property
ΔfusH°	27.41	kJ/mol	Joback Calculated Property
ΔvapH°	61.54	kJ/mol	Joback Calculated Property
log10WS	-2.77		Crippen Calculated Property
logPoct/wat	1.919		Crippen Calculated Property
McVol	200.310	ml/mol	McGowan Calculated Property
Pc	2062.36	kPa	Joback Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
Tboil	638.22	K	Joback Calculated Property
Tc	832.89	K	Joback Calculated Property
Tfus	382.56	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.70; 602.92]	J/mol×K	[638.22; 832.89]
Cp,gas	524.70	J/mol×K	638.22	Joback Calculated Property
Cp,gas	539.63	J/mol×K	670.67	Joback Calculated Property
Cp,gas	553.79	J/mol×K	703.11	Joback Calculated Property
Cp,gas	567.20	J/mol×K	735.56	Joback Calculated Property
Cp,gas	579.85	J/mol×K	768.00	Joback Calculated Property
Cp,gas	591.75	J/mol×K	800.45	Joback Calculated Property
Cp,gas	602.92	J/mol×K	832.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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