Chemical Properties of endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-, methyl ester

InChI

InChI=1S/C11H14O2/c1-13-10(12)8-6-7-2-3-9(8)11(7)4-5-11/h2-3,7-9H,4-6H2,1H3

InChI Key

MYPALZWZXZILKP-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

COC(=O)C1CC2C=CC1C21CC1

Molecular Weight¹

178.23

• 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.
• I : 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°	6.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.09	kJ/mol	Joback Calculated Property
ΔfusH°	17.43	kJ/mol	Joback Calculated Property
ΔvapH°	47.81	kJ/mol	Joback Calculated Property
log10WS	-1.86		Crippen Calculated Property
logPoct/wat	1.762		Crippen Calculated Property
McVol	136.410	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[1245.00; 1245.00]
Inp	1245.00		NIST
Inp	1245.00		NIST
I	[1685.00; 1685.00]
I	1685.00		NIST
I	1685.00		NIST
Tboil	542.32	K	Joback Calculated Property
Tc	763.54	K	Joback Calculated Property
Tfus	360.13	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.54; 439.62]	J/mol×K	[542.32; 763.54]
Cp,gas	355.54	J/mol×K	542.32	Joback Calculated Property
Cp,gas	372.18	J/mol×K	579.19	Joback Calculated Property
Cp,gas	387.52	J/mol×K	616.06	Joback Calculated Property
Cp,gas	401.74	J/mol×K	652.93	Joback Calculated Property
Cp,gas	415.04	J/mol×K	689.80	Joback Calculated Property
Cp,gas	427.61	J/mol×K	726.67	Joback Calculated Property
Cp,gas	439.62	J/mol×K	763.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-, methyl ester.

Sources

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

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