Chemical Properties of Sebacic acid, isohexyl 2,3,6-trichlorophenyl ester

InChI

InChI=1S/C22H31Cl3O4/c1-16(2)10-9-15-28-19(26)11-7-5-3-4-6-8-12-20(27)29-22-18(24)14-13-17(23)21(22)25/h13-14,16H,3-12,15H2,1-2H3

InChI Key

WUVMMTJNOBLMLD-UHFFFAOYSA-N

Formula

C22H31Cl3O4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

465.84

• 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	1.1083		Relay (1.0) Calculated Property
ΔfG°	-288.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.25	kJ/mol	Joback Calculated Property
ΔvapH°	120.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-7.42		Relay (1.0) Calculated Property
logPoct/wat	7.652		Crippen Calculated Property
McVol	348.680	ml/mol	McGowan Calculated Property
Pc	1071.46	kPa	Joback Calculated Property
Inp	[3173.00; 3173.00]
Inp	3173.00		NIST
Inp	3173.00		NIST
Tboil	662.83	K	Relay (1.0) Calculated Property
Tc	911.32	K	Relay (1.0) Calculated Property
Tfus	329.45	K	Relay (1.0) Calculated Property
Vc	1.284	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1070.25; 1126.15]	J/mol×K	[1008.81; 1235.42]
Cp,gas	1070.25	J/mol×K	1008.81	Joback Calculated Property
Cp,gas	1082.97	J/mol×K	1046.58	Joback Calculated Property
Cp,gas	1094.29	J/mol×K	1084.35	Joback Calculated Property
Cp,gas	1104.24	J/mol×K	1122.12	Joback Calculated Property
Cp,gas	1112.84	J/mol×K	1159.88	Joback Calculated Property
Cp,gas	1120.13	J/mol×K	1197.65	Joback Calculated Property
Cp,gas	1126.15	J/mol×K	1235.42	Joback Calculated Property
η	[0.0000237; 0.0002140]	Pa×s	[620.76; 1008.81]
η	0.0002140	Pa×s	620.76	Joback Calculated Property
η	0.0001248	Pa×s	685.43	Joback Calculated Property
η	0.0000798	Pa×s	750.11	Joback Calculated Property
η	0.0000548	Pa×s	814.78	Joback Calculated Property
η	0.0000398	Pa×s	879.46	Joback Calculated Property
η	0.0000302	Pa×s	944.13	Joback Calculated Property
η	0.0000237	Pa×s	1008.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl 2,3,6-trichlorophenyl ester.

Sources

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

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