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°	30.36	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	[422.30; 497.38]	J/mol×K	[626.24; 842.44]
Cp,gas	422.30	J/mol×K	626.24	Joback Calculated Property
Cp,gas	437.08	J/mol×K	662.27	Joback Calculated Property
Cp,gas	450.90	J/mol×K	698.31	Joback Calculated Property
Cp,gas	463.78	J/mol×K	734.34	Joback Calculated Property
Cp,gas	475.79	J/mol×K	770.37	Joback Calculated Property
Cp,gas	486.97	J/mol×K	806.41	Joback Calculated Property
Cp,gas	497.38	J/mol×K	842.44	Joback Calculated Property
η	[0.0013176; 0.0026457]	Pa×s	[390.38; 626.24]
η	0.0026457	Pa×s	390.38	Joback Calculated Property
η	0.0022336	Pa×s	429.69	Joback Calculated Property
η	0.0019399	Pa×s	469.00	Joback Calculated Property
η	0.0017220	Pa×s	508.31	Joback Calculated Property
η	0.0015550	Pa×s	547.62	Joback Calculated Property
η	0.0014235	Pa×s	586.93	Joback Calculated Property
η	0.0013176	Pa×s	626.24	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.
These property values are available through the Cheméo API. A free account gives you an access key.