Chemical Properties of 6-Chlorohexanoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C12H12Cl4O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2

InChI Key

RWCBWJQSBGXTNB-UHFFFAOYSA-N

Formula

C12H12Cl4O2

SMILES

O=C(CCCCCCl)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

330.03

• 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.
• 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	0.7609		Relay (1.0) Calculated Property
ΔfG°	-147.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
ΔvapH°	93.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	5.351		Crippen Calculated Property
McVol	212.580	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[2298.00; 2298.00]
Inp	2298.00		NIST
Inp	2298.00		NIST
Tboil	583.23	K	Relay (1.0) Calculated Property
Tc	861.46	K	Relay (1.0) Calculated Property
Tfus	328.00	K	Relay (1.0) Calculated Property
Vc	0.758	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.51; 545.10]	J/mol×K	[741.59; 963.78]
Cp,gas	491.51	J/mol×K	741.59	Joback Calculated Property
Cp,gas	502.33	J/mol×K	778.62	Joback Calculated Property
Cp,gas	512.37	J/mol×K	815.65	Joback Calculated Property
Cp,gas	521.66	J/mol×K	852.69	Joback Calculated Property
Cp,gas	530.19	J/mol×K	889.72	Joback Calculated Property
Cp,gas	538.01	J/mol×K	926.75	Joback Calculated Property
Cp,gas	545.10	J/mol×K	963.78	Joback Calculated Property
η	[0.0001304; 0.0007397]	Pa×s	[480.82; 741.59]
η	0.0007397	Pa×s	480.82	Joback Calculated Property
η	0.0004913	Pa×s	524.28	Joback Calculated Property
η	0.0003474	Pa×s	567.74	Joback Calculated Property
η	0.0002580	Pa×s	611.21	Joback Calculated Property
η	0.0001994	Pa×s	654.67	Joback Calculated Property
η	0.0001591	Pa×s	698.13	Joback Calculated Property
η	0.0001304	Pa×s	741.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic acid, 2,4,5-trichlorophenyl ester.

Sources

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

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