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

InChI

InChI=1S/C12H18O2/c1-11(10(13)14-2)7-8-3-4-9(11)12(8)5-6-12/h8-9H,3-7H2,1-2H3/t8-,9-,11-/m0/s1

InChI Key

BYBXYWJLTXNRDH-QXEWZRGKSA-N

Formula

C12H18O2

SMILES

COC(=O)C1(C)CC2CCC1C21CC1

Molecular Weight¹

194.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.08	kJ/mol	Joback Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	154.800	ml/mol	McGowan Calculated Property
Inp	1295.00		NIST
I	[1631.00; 1631.00]
I	1631.00		NIST
I	1631.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.47; 607.06]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.27380e+02
Coefficient B			2.09904e+00
Coefficient C			-2.20480e-03
Coefficient D			9.40200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.47	J/mol×K	273.00	Calculated Property
Cp,gas	280.89	J/mol×K	353.78	Calculated Property
Cp,gas	345.57	J/mol×K	434.56	Calculated Property
Cp,gas	397.47	J/mol×K	515.33	Calculated Property
Cp,gas	439.57	J/mol×K	596.11	Calculated Property
Cp,gas	474.83	J/mol×K	676.89	Calculated Property
Cp,gas	506.24	J/mol×K	757.67	Calculated Property
Cp,gas	536.77	J/mol×K	838.44	Calculated Property
Cp,gas	569.38	J/mol×K	919.22	Calculated Property
Cp,gas	607.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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