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

InChI

InChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1

InChI Key

BWGIKEUGPCOETD-GJMOJQLCSA-N

Formula

C9H14O2

SMILES

COC(=O)C1CC2CCC1C2

Molecular Weight¹

154.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-423.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.08	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	123.390	ml/mol	McGowan Calculated Property
Inp	1131.00		NIST
I	[1507.00; 1507.00]
I	1507.00		NIST
I	1507.00		NIST
Tboil	461.84	K	Relay (1.0) Calculated Property
Tfus	299.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.57; 376.89]	J/mol×K	[476.82; 682.46]
Cp,gas	288.57	J/mol×K	476.82	Joback Calculated Property
Cp,gas	305.70	J/mol×K	511.09	Joback Calculated Property
Cp,gas	321.81	J/mol×K	545.37	Joback Calculated Property
Cp,gas	336.94	J/mol×K	579.64	Joback Calculated Property
Cp,gas	351.14	J/mol×K	613.91	Joback Calculated Property
Cp,gas	364.44	J/mol×K	648.19	Joback Calculated Property
Cp,gas	376.89	J/mol×K	682.46	Joback Calculated Property
η	[0.0006908; 0.0015853]	Pa×s	[261.64; 476.82]
η	0.0015853	Pa×s	261.64	Joback Calculated Property
η	0.0012698	Pa×s	297.50	Joback Calculated Property
η	0.0010669	Pa×s	333.37	Joback Calculated Property
η	0.0009272	Pa×s	369.23	Joback Calculated Property
η	0.0008261	Pa×s	405.09	Joback Calculated Property
η	0.0007499	Pa×s	440.96	Joback Calculated Property
η	0.0006908	Pa×s	476.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 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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