Chemical Properties of 2-Chlorobenzoic acid, allyl ester (CAS 7506-76-5)

InChI

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

InChI Key

QAPRPPQBBCRDKG-UHFFFAOYSA-N

Formula

C10H9ClO2

SMILES

C=CCOC(=O)c1ccccc1Cl

Molecular Weight¹

196.63

CAS

7506-76-5

Other Names

• Allyl 2-chlorobenzoate
• Benzoic acid, 2-chloro, 2-propenyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-21.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.78	kJ/mol	Joback Calculated Property
ΔfusH°	21.01	kJ/mol	Joback Calculated Property
ΔvapH°	53.66	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	2.683		Crippen Calculated Property
McVol	143.380	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1396.00; 1420.00]
Inp	1399.00		NIST
Inp	1410.00		NIST
Inp	Outlier 1420.00		NIST
Inp	1407.00		NIST
Inp	1396.00		NIST
Inp	1403.00		NIST
Inp	1407.00		NIST
Inp	1399.00		NIST
I	[2086.00; 2127.00]
I	2086.00		NIST
I	2104.00		NIST
I	2125.00		NIST
I	2127.00		NIST
I	2094.00		NIST
I	2106.00		NIST
I	2127.00		NIST
I	2086.00		NIST
Tboil	570.26	K	Joback Calculated Property
Tc	793.10	K	Joback Calculated Property
Tfus	341.72	K	Joback Calculated Property
Vc	0.541	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.15; 365.93]	J/mol×K	[570.26; 793.10]
Cp,gas	306.15	J/mol×K	570.26	Joback Calculated Property
Cp,gas	317.89	J/mol×K	607.40	Joback Calculated Property
Cp,gas	328.89	J/mol×K	644.54	Joback Calculated Property
Cp,gas	339.18	J/mol×K	681.68	Joback Calculated Property
Cp,gas	348.76	J/mol×K	718.82	Joback Calculated Property
Cp,gas	357.67	J/mol×K	755.96	Joback Calculated Property
Cp,gas	365.93	J/mol×K	793.10	Joback Calculated Property
η	[0.0002164; 0.0016051]	Pa×s	[341.72; 570.26]
η	0.0016051	Pa×s	341.72	Joback Calculated Property
η	0.0009722	Pa×s	379.81	Joback Calculated Property
η	0.0006452	Pa×s	417.90	Joback Calculated Property
η	0.0004585	Pa×s	455.99	Joback Calculated Property
η	0.0003435	Pa×s	494.08	Joback Calculated Property
η	0.0002682	Pa×s	532.17	Joback Calculated Property
η	0.0002164	Pa×s	570.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, allyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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