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

InChI

InChI=1S/C12H16O2/c1-11(10(13)14-2)7-8-3-4-9(11)12(8)5-6-12/h3-4,8-9H,5-7H2,1-2H3/t8-,9+,11-/m1/s1

InChI Key

UPOPHKONFXCKPW-WCABBAIRSA-N

Formula

C12H16O2

SMILES

COC(=O)C1(C)CC2C=CC1C21CC1

Molecular Weight¹

192.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3710		Relay (... Calculated Property
ΔfG°	9.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.72	kJ/mol	Joback Calculated Property
ΔvapH°	64.51	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-2.99		Relay (... Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	150.500	ml/mol	McGowan Calculated Property
Pc	2950.48	kPa	Joback Calculated Property
Inp	[1254.00; 1254.00]
Inp	1254.00		NIST
Inp	1254.00		NIST
I	[1614.00; 1614.00]
I	1614.00		NIST
I	1614.00		NIST
Tboil	482.09	K	Relay (... Calculated Property
Tc	744.82	K	Relay (... Calculated Property
Tfus	314.23	K	Relay (... Calculated Property
Vc	0.533	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.36; 489.83]	J/mol×K	[565.44; 791.70]
Cp,gas	402.36	J/mol×K	565.44	Joback Calculated Property
Cp,gas	419.21	J/mol×K	603.15	Joback Calculated Property
Cp,gas	434.74	J/mol×K	640.86	Joback Calculated Property
Cp,gas	449.27	J/mol×K	678.57	Joback Calculated Property
Cp,gas	463.09	J/mol×K	716.28	Joback Calculated Property
Cp,gas	476.51	J/mol×K	753.99	Joback Calculated Property
Cp,gas	489.83	J/mol×K	791.70	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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