Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester

InChI

InChI=1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3

InChI Key

UXRMRBNLTQHPEU-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

CCOC(=O)C1C2C=CC(C2)C1C(=O)OCC

Molecular Weight¹

238.28

Other Names

• Diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.70	kJ/mol	Joback Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	1.551		Crippen Calculated Property
McVol	182.890	ml/mol	McGowan Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	526.88	K	Relay (1.0) Calculated Property

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, Ionization energy 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	[260.21; 649.50]	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			-4.40580e+01
Coefficient B			1.31244e+00
Coefficient C			-7.64680e-04
Coefficient D			1.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.21	J/mol×K	273.00	Calculated Property
Cp,gas	331.00	J/mol×K	353.78	Calculated Property
Cp,gas	393.83	J/mol×K	434.56	Calculated Property
Cp,gas	449.16	J/mol×K	515.33	Calculated Property
Cp,gas	497.46	J/mol×K	596.11	Calculated Property
Cp,gas	539.18	J/mol×K	676.89	Calculated Property
Cp,gas	574.78	J/mol×K	757.67	Calculated Property
Cp,gas	604.73	J/mol×K	838.44	Calculated Property
Cp,gas	629.48	J/mol×K	919.22	Calculated Property
Cp,gas	649.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022948; 0.0008087]	Pa×s	[345.57; 574.49]	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			-8.69454e+00
Coefficient B			9.04510e+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.			345.57
Temperature range, max.			574.49
η	0.0022948	Pa×s	345.57	Calculated Property
η	0.0019179	Pa×s	371.01	Calculated Property
η	0.0016402	Pa×s	396.44	Calculated Property
η	0.0014294	Pa×s	421.88	Calculated Property
η	0.0012653	Pa×s	447.31	Calculated Property
η	0.0011349	Pa×s	472.75	Calculated Property
η	0.0010293	Pa×s	498.18	Calculated Property
η	0.0009424	Pa×s	523.62	Calculated Property
η	0.0008699	Pa×s	549.05	Calculated Property
η	0.0008087	Pa×s	574.49	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl 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

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