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

InChI

InChI=1S/C13H18O5/c1-3-10(2)18-13(15)7-6-12(14)17-9-11-5-4-8-16-11/h1,10-11H,4-9H2,2H3

InChI Key

GBPBBBUZPABQIG-UHFFFAOYSA-N

Formula

C13H18O5

SMILES

C#CC(C)OC(=O)CCC(=O)OCC1CCCO1

Molecular Weight¹

254.28

• 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°	-238.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.15	kJ/mol	Joback Calculated Property
ΔfusH°	36.37	kJ/mol	Joback Calculated Property
ΔvapH°	67.08	kJ/mol	Joback Calculated Property
log10WS	-1.99		Crippen Calculated Property
logPoct/wat	1.054		Crippen Calculated Property
McVol	195.320	ml/mol	McGowan Calculated Property
Pc	2386.52	kPa	Joback Calculated Property
Inp	[1788.00; 1788.00]
Inp	1788.00		NIST
Inp	1788.00		NIST
Tboil	681.33	K	Joback Calculated Property
Tc	891.37	K	Joback Calculated Property
Tfus	450.03	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.52; 622.98]	J/mol×K	[681.33; 891.37]
Cp,gas	544.52	J/mol×K	681.33	Joback Calculated Property
Cp,gas	559.98	J/mol×K	716.34	Joback Calculated Property
Cp,gas	574.46	J/mol×K	751.34	Joback Calculated Property
Cp,gas	587.99	J/mol×K	786.35	Joback Calculated Property
Cp,gas	600.57	J/mol×K	821.35	Joback Calculated Property
Cp,gas	612.23	J/mol×K	856.36	Joback Calculated Property
Cp,gas	622.98	J/mol×K	891.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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