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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.81; 494.20]	J/mol×K	[608.37; 822.47]
Cp,gas	417.81	J/mol×K	608.37	Joback Calculated Property
Cp,gas	432.97	J/mol×K	644.05	Joback Calculated Property
Cp,gas	447.09	J/mol×K	679.74	Joback Calculated Property
Cp,gas	460.22	J/mol×K	715.42	Joback Calculated Property
Cp,gas	472.42	J/mol×K	751.10	Joback Calculated Property
Cp,gas	483.73	J/mol×K	786.78	Joback Calculated Property
Cp,gas	494.20	J/mol×K	822.47	Joback Calculated Property
η	[0.0011218; 0.0026000]	Pa×s	[360.55; 608.37]
η	0.0026000	Pa×s	360.55	Joback Calculated Property
η	0.0021031	Pa×s	401.85	Joback Calculated Property
η	0.0017698	Pa×s	443.16	Joback Calculated Property
η	0.0015338	Pa×s	484.46	Joback Calculated Property
η	0.0013595	Pa×s	525.76	Joback Calculated Property
η	0.0012263	Pa×s	567.07	Joback Calculated Property
η	0.0011218	Pa×s	608.37	Joback 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

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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