Chemical Properties of 4-Chlorobenzoic acid, propyl ester (CAS 25800-30-0)

InChI

InChI=1S/C10H11ClO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

InChI Key

BLEFFSGNRQPNCA-UHFFFAOYSA-N

Formula

C10H11ClO2

SMILES

CCCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

198.65

CAS

25800-30-0

Other Names

• Propyl 4-chlorobenzoate
• Benzoic acid, 4-chloro, propyl ester

• 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	0.5539		Relay (... Calculated Property
ΔfG°	-109.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-365.63	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.29	kJ/mol	Joback Calculated Property
ΔvapH°	67.88	kJ/mol	Relay (... Calculated Property
IE	9.25	eV	Relay (... Calculated Property
log10WS	-3.95		Relay (... Calculated Property
logPoct/wat	2.907		Crippen Calculated Property
McVol	147.680	ml/mol	McGowan Calculated Property
Pc	2912.39	kPa	Joback Calculated Property
Inp	[1406.00; 1434.00]
Inp	1419.00		NIST
Inp	1428.00		NIST
Inp	1434.00		NIST
Inp	1420.00		NIST
Inp	1406.00		NIST
Inp	1415.00		NIST
Inp	1420.00		NIST
Inp	1419.00		NIST
I	[1912.00; 2001.00]
I	1970.00		NIST
I	1974.00		NIST
I	2001.00		NIST
I	1948.00		NIST
I	1912.00		NIST
I	1934.00		NIST
I	1948.00		NIST
Tboil	539.24	K	Relay (... Calculated Property
Tc	724.86	K	Relay (... Calculated Property
Tfus	297.03	K	Relay (... Calculated Property
Vc	0.538	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.95; 390.20]	J/mol×K	[573.58; 791.74]
Cp,gas	325.95	J/mol×K	573.58	Joback Calculated Property
Cp,gas	338.44	J/mol×K	609.94	Joback Calculated Property
Cp,gas	350.20	J/mol×K	646.30	Joback Calculated Property
Cp,gas	361.23	J/mol×K	682.66	Joback Calculated Property
Cp,gas	371.57	J/mol×K	719.02	Joback Calculated Property
Cp,gas	381.22	J/mol×K	755.38	Joback Calculated Property
Cp,gas	390.20	J/mol×K	791.74	Joback Calculated Property
η	[0.0002099; 0.0016661]	Pa×s	[343.48; 573.58]
η	0.0016661	Pa×s	343.48	Joback Calculated Property
η	0.0009919	Pa×s	381.83	Joback Calculated Property
η	0.0006491	Pa×s	420.18	Joback Calculated Property
η	0.0004560	Pa×s	458.53	Joback Calculated Property
η	0.0003383	Pa×s	496.88	Joback Calculated Property
η	0.0002619	Pa×s	535.23	Joback Calculated Property
η	0.0002099	Pa×s	573.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoic acid, propyl ester.

Sources

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

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