Chemical Properties of Benzoic acid, 3-chloro, 2-propenyl ester

InChI

InChI=1S/C10H9ClO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7H,1,6H2

InChI Key

GGYGSYXSTMFGRY-UHFFFAOYSA-N

Formula

C10H9ClO2

SMILES

C=CCOC(=O)c1cccc(Cl)c1

Molecular Weight¹

196.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-251.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.59	kJ/mol	Joback Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	2.683		Crippen Calculated Property
McVol	143.380	ml/mol	McGowan Calculated Property
Inp	[1390.00; 1414.00]
Inp	1396.00		NIST
Inp	1404.00		NIST
Inp	Outlier 1414.00		NIST
Inp	1402.00		NIST
Inp	1390.00		NIST
Inp	1400.00		NIST
Inp	1396.00		NIST
Inp	1402.00		NIST
I	[2001.00; 2039.00]
I	2001.00		NIST
I	2001.00		NIST
I	2020.00		NIST
I	2039.00		NIST
I	2034.00		NIST
I	2004.00		NIST
I	2012.00		NIST
I	2034.00		NIST
Tboil	531.01	K	Relay (1.0) Calculated Property
Tfus	252.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.31; 364.32]	J/mol×K	[552.39; 772.80]
Cp,gas	303.31	J/mol×K	552.39	Joback Calculated Property
Cp,gas	315.40	J/mol×K	589.13	Joback Calculated Property
Cp,gas	326.69	J/mol×K	625.86	Joback Calculated Property
Cp,gas	337.20	J/mol×K	662.60	Joback Calculated Property
Cp,gas	346.96	J/mol×K	699.33	Joback Calculated Property
Cp,gas	355.99	J/mol×K	736.07	Joback Calculated Property
Cp,gas	364.32	J/mol×K	772.80	Joback Calculated Property
η	[0.0001969; 0.0022038]	Pa×s	[311.89; 552.39]
η	0.0022038	Pa×s	311.89	Joback Calculated Property
η	0.0011717	Pa×s	351.97	Joback Calculated Property
η	0.0007089	Pa×s	392.06	Joback Calculated Property
η	0.0004708	Pa×s	432.14	Joback Calculated Property
η	0.0003351	Pa×s	472.22	Joback Calculated Property
η	0.0002516	Pa×s	512.31	Joback Calculated Property
η	0.0001969	Pa×s	552.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-chloro, 2-propenyl 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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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