Chemical Properties of 6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid, methyl ester

InChI

InChI=1S/C10H14O3/c1-13-9(12)10-3-2-7(5-10)4-8(10)6-11/h2-3,7-8,11H,4-6H2,1H3

InChI Key

MTAURAMEOVOLEM-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

COC(=O)C12C=CC(CC1CO)C2

Molecular Weight¹

182.22

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.28	kJ/mol	Joback Calculated Property
logPoct/wat	0.734		Crippen Calculated Property
McVol	139.050	ml/mol	McGowan Calculated Property
Inp	[1368.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		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	[186.54; 505.96]	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			-1.17379e+02
Coefficient B			1.43462e+00
Coefficient C			-1.31448e-03
Coefficient D			5.03200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.54	J/mol×K	273.00	Calculated Property
Cp,gas	247.92	J/mol×K	353.78	Calculated Property
Cp,gas	299.11	J/mol×K	434.56	Calculated Property
Cp,gas	341.71	J/mol×K	515.33	Calculated Property
Cp,gas	377.31	J/mol×K	596.11	Calculated Property
Cp,gas	407.49	J/mol×K	676.89	Calculated Property
Cp,gas	433.86	J/mol×K	757.67	Calculated Property
Cp,gas	458.00	J/mol×K	838.44	Calculated Property
Cp,gas	481.50	J/mol×K	919.22	Calculated Property
Cp,gas	505.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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