Chemical Properties of Adipic acid, hexyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C18H22Cl4O4/c1-2-3-4-7-10-25-14(23)8-5-6-9-15(24)26-18-16(21)12(19)11-13(20)17(18)22/h11H,2-10H2,1H3

InChI Key

VBFWMUTZHSGTSO-UHFFFAOYSA-N

Formula

C18H22Cl4O4

SMILES

CCCCCCOC(=O)CCCCC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

444.18

• 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	1.0257		Relay (1.0) Calculated Property
ΔfG°	-340.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.22	kJ/mol	Joback Calculated Property
ΔvapH°	112.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	6.889		Crippen Calculated Property
McVol	304.560	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[2882.00; 2882.00]
Inp	2882.00		NIST
Inp	2882.00		NIST
Tboil	648.82	K	Relay (1.0) Calculated Property
Tc	906.45	K	Relay (1.0) Calculated Property
Tfus	325.41	K	Relay (1.0) Calculated Property
Vc	1.122	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.87; 900.93]	J/mol×K	[960.14; 1181.98]
Cp,gas	853.87	J/mol×K	960.14	Joback Calculated Property
Cp,gas	864.61	J/mol×K	997.11	Joback Calculated Property
Cp,gas	874.18	J/mol×K	1034.09	Joback Calculated Property
Cp,gas	882.58	J/mol×K	1071.06	Joback Calculated Property
Cp,gas	889.83	J/mol×K	1108.03	Joback Calculated Property
Cp,gas	895.95	J/mol×K	1145.00	Joback Calculated Property
Cp,gas	900.93	J/mol×K	1181.98	Joback Calculated Property
η	[0.0000413; 0.0002379]	Pa×s	[633.12; 960.14]
η	0.0002379	Pa×s	633.12	Joback Calculated Property
η	0.0001583	Pa×s	687.62	Joback Calculated Property
η	0.0001118	Pa×s	742.13	Joback Calculated Property
η	0.0000828	Pa×s	796.63	Joback Calculated Property
η	0.0000637	Pa×s	851.13	Joback Calculated Property
η	0.0000506	Pa×s	905.64	Joback Calculated Property
η	0.0000413	Pa×s	960.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, hexyl 2,3,5,6-tetrachlorophenyl ester.

Sources

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

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