Chemical Properties of o-Anisic acid, 4-chlorophenyl ester

InChI

InChI=1S/C14H11ClO3/c1-17-13-5-3-2-4-12(13)14(16)18-11-8-6-10(15)7-9-11/h2-9H,1H3

InChI Key

BELPBVCDOMAVAK-UHFFFAOYSA-N

Formula

C14H11ClO3

SMILES

COc1ccccc1C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

262.69

• 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.
• 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°	-78.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.93	kJ/mol	Joback Calculated Property
ΔfusH°	27.49	kJ/mol	Joback Calculated Property
ΔvapH°	68.58	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.568		Crippen Calculated Property
McVol	186.150	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[2046.00; 2046.00]
Inp	2046.00		NIST
Inp	2046.00		NIST
Tboil	719.18	K	Joback Calculated Property
Tc	962.28	K	Joback Calculated Property
Tfus	449.73	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.12; 526.34]	J/mol×K	[719.18; 962.28]
Cp,gas	463.12	J/mol×K	719.18	Joback Calculated Property
Cp,gas	476.37	J/mol×K	759.70	Joback Calculated Property
Cp,gas	488.52	J/mol×K	800.21	Joback Calculated Property
Cp,gas	499.56	J/mol×K	840.73	Joback Calculated Property
Cp,gas	509.54	J/mol×K	881.24	Joback Calculated Property
Cp,gas	518.46	J/mol×K	921.76	Joback Calculated Property
Cp,gas	526.34	J/mol×K	962.28	Joback Calculated Property
η	[0.0001096; 0.0007169]	Pa×s	[449.73; 719.18]
η	0.0007169	Pa×s	449.73	Joback Calculated Property
η	0.0004548	Pa×s	494.64	Joback Calculated Property
η	0.0003112	Pa×s	539.55	Joback Calculated Property
η	0.0002257	Pa×s	584.45	Joback Calculated Property
η	0.0001714	Pa×s	629.36	Joback Calculated Property
η	0.0001350	Pa×s	674.27	Joback Calculated Property
η	0.0001096	Pa×s	719.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to o-Anisic acid, 4-chlorophenyl ester.

Sources

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

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