Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo- (CAS 2903-75-5)

InChI

InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7-,8-/m1/s1

InChI Key

RMAZRAQKPTXZNL-BWZBUEFSSA-N

Formula

C9H12O2

SMILES

COC(=O)C1CC2C=CC1C2

Molecular Weight¹

152.19

CAS

2903-75-5

Other Names

• Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate, endo-
• endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[156.76; 428.37]	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			-7.17700e+01
Coefficient B			1.01372e+00
Coefficient C			-6.97080e-04
Coefficient D			1.83500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.76	J/mol×K	273.00	Calculated Property
Cp,gas	207.74	J/mol×K	353.78	Calculated Property
Cp,gas	252.17	J/mol×K	434.56	Calculated Property
Cp,gas	290.62	J/mol×K	515.33	Calculated Property
Cp,gas	323.68	J/mol×K	596.11	Calculated Property
Cp,gas	351.93	J/mol×K	676.89	Calculated Property
Cp,gas	375.94	J/mol×K	757.67	Calculated Property
Cp,gas	396.30	J/mol×K	838.44	Calculated Property
Cp,gas	413.58	J/mol×K	919.22	Calculated Property
Cp,gas	428.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013091; 0.0006738]	Pa×s	[262.40; 478.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.10885e+00
Coefficient B			3.85840e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			262.40
Temperature range, max.			478.59
η	0.0013091	Pa×s	262.40	Calculated Property
η	0.0011572	Pa×s	286.42	Calculated Property
η	0.0010427	Pa×s	310.44	Calculated Property
η	0.0009536	Pa×s	334.46	Calculated Property
η	0.0008827	Pa×s	358.48	Calculated Property
η	0.0008250	Pa×s	382.50	Calculated Property
η	0.0007773	Pa×s	406.52	Calculated Property
η	0.0007372	Pa×s	430.54	Calculated Property
η	0.0007031	Pa×s	454.56	Calculated Property
η	0.0006738	Pa×s	478.59	Calculated Property

Similar Compounds

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

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

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