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

InChI

InChI=1S/C11H20O3/c1-3-4-5-6-7-8-11(9-14-11)10(12)13-2/h3-9H2,1-2H3

InChI Key

UTZQYBPIBOKLLR-UHFFFAOYSA-N

Formula

C11H20O3

SMILES

CCCCCCCC1(C(=O)OC)CO1

Molecular Weight¹

200.27

• 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°	-223.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-559.13	kJ/mol	Joback Calculated Property
ΔfusH°	26.85	kJ/mol	Joback Calculated Property
ΔvapH°	52.51	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.289		Crippen Calculated Property
McVol	168.300	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[1392.00; 1392.00]
Inp	1392.00		NIST
Inp	1392.00		NIST
Tboil	561.30	K	Joback Calculated Property
Tc	750.29	K	Joback Calculated Property
Tfus	354.30	K	Joback Calculated Property
Vc	0.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.85; 512.64]	J/mol×K	[561.30; 750.29]
Cp,gas	432.85	J/mol×K	561.30	Joback Calculated Property
Cp,gas	447.82	J/mol×K	592.80	Joback Calculated Property
Cp,gas	462.02	J/mol×K	624.30	Joback Calculated Property
Cp,gas	475.51	J/mol×K	655.80	Joback Calculated Property
Cp,gas	488.39	J/mol×K	687.29	Joback Calculated Property
Cp,gas	500.74	J/mol×K	718.79	Joback Calculated Property
Cp,gas	512.64	J/mol×K	750.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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