Chemical Properties of Ethyl 3-(chlorocarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

InChI

InChI=1S/C11H13ClO3/c1-2-15-11(14)9-7-4-3-6(5-7)8(9)10(12)13/h3-4,6-9H,2,5H2,1H3

InChI Key

UFJRFJAUWQRPBW-UHFFFAOYSA-N

Formula

C11H13ClO3

SMILES

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

Molecular Weight¹

228.67

• 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°	31.95	kJ/mol	Joback Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	1.753		Crippen Calculated Property
McVol	161.080	ml/mol	McGowan Calculated Property
Inp	[1479.00; 1479.00]
Inp	1479.00		NIST
Inp	1479.00		NIST
Tboil	509.64	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	[215.78; 535.50]	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			-4.73990e+01
Coefficient B			1.15602e+00
Coefficient C			-7.52180e-04
Coefficient D			1.79060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.78	J/mol×K	273.00	Calculated Property
Cp,gas	275.36	J/mol×K	353.78	Calculated Property
Cp,gas	327.61	J/mol×K	434.56	Calculated Property
Cp,gas	373.09	J/mol×K	515.33	Calculated Property
Cp,gas	412.36	J/mol×K	596.11	Calculated Property
Cp,gas	446.00	J/mol×K	676.89	Calculated Property
Cp,gas	474.56	J/mol×K	757.67	Calculated Property
Cp,gas	498.63	J/mol×K	838.44	Calculated Property
Cp,gas	518.75	J/mol×K	919.22	Calculated Property
Cp,gas	535.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026000; 0.0012024]	Pa×s	[360.55; 575.73]	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			-8.01570e+00
Coefficient B			7.43980e+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.			360.55
Temperature range, max.			575.73
η	0.0026000	Pa×s	360.55	Calculated Property
η	0.0022869	Pa×s	384.46	Calculated Property
η	0.0020419	Pa×s	408.37	Calculated Property
η	0.0018462	Pa×s	432.28	Calculated Property
η	0.0016870	Pa×s	456.18	Calculated Property
η	0.0015554	Pa×s	480.09	Calculated Property
η	0.0014451	Pa×s	504.00	Calculated Property
η	0.0013517	Pa×s	527.91	Calculated Property
η	0.0012716	Pa×s	551.82	Calculated Property
η	0.0012024	Pa×s	575.73	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-(chlorocarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.

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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