Chemical Properties of 2-Chloroethyl benzoate (CAS 939-55-9)

InChI

InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChI Key

ANPPGQUFDXLAGY-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

O=C(OCCCl)c1ccccc1

Molecular Weight¹

184.62

CAS

939-55-9

Other Names

• Benzoic acid 2-chloroethyl ester
• Ethanol, 2-chloro-, benzoate

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5358		Relay (1.0) Calculated Property
ΔfG°	-184.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.67	kJ/mol	Joback Calculated Property
ΔvapH°	67.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	2.082		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1366.00; 1396.00]
Inp	1381.00		NIST
Inp	1375.00		NIST
Inp	1394.00		NIST
Inp	1375.00		NIST
Inp	1380.00		NIST
Inp	1396.00		NIST
Inp	1380.00		NIST
Inp	1373.00		NIST
Inp	1368.00		NIST
Inp	1366.00		NIST
I	[2101.00; 2159.00]
I	2137.00		NIST
I	2137.00		NIST
I	2159.00		NIST
I	2101.00		NIST
I	2137.00		NIST
I	2101.00		NIST
Tboil	531.40	K	Relay (1.0) Calculated Property
Tc	746.61	K	Relay (1.0) Calculated Property
Tfus	275.09	K	Relay (1.0) Calculated Property
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.41; 340.28]	J/mol×K	[527.85; 746.21]
Cp,gas	278.41	J/mol×K	527.85	Joback Calculated Property
Cp,gas	290.63	J/mol×K	564.24	Joback Calculated Property
Cp,gas	302.06	J/mol×K	600.64	Joback Calculated Property
Cp,gas	312.72	J/mol×K	637.03	Joback Calculated Property
Cp,gas	322.63	J/mol×K	673.42	Joback Calculated Property
Cp,gas	331.81	J/mol×K	709.81	Joback Calculated Property
Cp,gas	340.28	J/mol×K	746.21	Joback Calculated Property
η	[0.0002161; 0.0032987]	Pa×s	[289.86; 527.85]
η	0.0032987	Pa×s	289.86	Joback Calculated Property
η	0.0015934	Pa×s	329.52	Joback Calculated Property
η	0.0008999	Pa×s	369.19	Joback Calculated Property
η	0.0005678	Pa×s	408.85	Joback Calculated Property
η	0.0003887	Pa×s	448.52	Joback Calculated Property
η	0.0002830	Pa×s	488.18	Joback Calculated Property
η	0.0002161	Pa×s	527.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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