Chemical Properties of 2-Pentyl-oxirane-2-carboxylic acid methyl ester

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-9(7-12-9)8(10)11-2/h3-7H2,1-2H3

InChI Key

RXFVDNPJQQLKTM-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

CCCCCC1(C(=O)OC)CO1

Molecular Weight¹

172.22

• 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°	-239.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.85	kJ/mol	Joback Calculated Property
ΔfusH°	21.67	kJ/mol	Joback Calculated Property
ΔvapH°	48.06	kJ/mol	Joback Calculated Property
log10WS	-1.55		Crippen Calculated Property
logPoct/wat	1.509		Crippen Calculated Property
McVol	140.120	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Inp	[1192.00; 1192.00]
Inp	1192.00		NIST
Inp	1192.00		NIST
Tboil	515.54	K	Joback Calculated Property
Tc	709.26	K	Joback Calculated Property
Tfus	331.76	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.06; 410.35]	J/mol×K	[515.54; 709.26]
Cp,gas	339.06	J/mol×K	515.54	Joback Calculated Property
Cp,gas	352.66	J/mol×K	547.83	Joback Calculated Property
Cp,gas	365.46	J/mol×K	580.11	Joback Calculated Property
Cp,gas	377.54	J/mol×K	612.40	Joback Calculated Property
Cp,gas	389.00	J/mol×K	644.69	Joback Calculated Property
Cp,gas	399.91	J/mol×K	676.98	Joback Calculated Property
Cp,gas	410.35	J/mol×K	709.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentyl-oxirane-2-carboxylic acid methyl ester.

Sources

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

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