Chemical Properties of 2-(4-Carboxy-butyl)-oxirane-2-carboxylic acid methyl ester

InChI

InChI=1S/C9H14O5/c1-13-8(12)9(6-14-9)5-3-2-4-7(10)11/h2-6H2,1H3,(H,10,11)

InChI Key

IRLNAJWVPPQRSU-UHFFFAOYSA-N

Formula

C9H14O5

SMILES

COC(=O)C1(CCCCC(=O)O)CO1

Molecular Weight¹

202.20

• 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°	-505.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.66	kJ/mol	Joback Calculated Property
ΔfusH°	27.36	kJ/mol	Joback Calculated Property
ΔvapH°	71.48	kJ/mol	Joback Calculated Property
log10WS	-0.65		Crippen Calculated Property
logPoct/wat	0.573		Crippen Calculated Property
McVol	147.560	ml/mol	McGowan Calculated Property
Pc	3399.94	kPa	Joback Calculated Property
Inp	[1497.00; 1497.00]
Inp	1497.00		NIST
Inp	1497.00		NIST
Tboil	661.59	K	Joback Calculated Property
Tc	852.52	K	Joback Calculated Property
Tfus	442.51	K	Joback Calculated Property
Vc	0.565	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.47; 463.08]	J/mol×K	[661.59; 852.52]
Cp,gas	406.47	J/mol×K	661.59	Joback Calculated Property
Cp,gas	416.70	J/mol×K	693.41	Joback Calculated Property
Cp,gas	426.50	J/mol×K	725.23	Joback Calculated Property
Cp,gas	435.96	J/mol×K	757.05	Joback Calculated Property
Cp,gas	445.15	J/mol×K	788.88	Joback Calculated Property
Cp,gas	454.16	J/mol×K	820.70	Joback Calculated Property
Cp,gas	463.08	J/mol×K	852.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Carboxy-butyl)-oxirane-2-carboxylic acid methyl ester.

Sources

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

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