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

InChI

InChI=1S/C22H30Cl4O4/c1-2-3-4-11-14-29-18(27)12-9-7-5-6-8-10-13-19(28)30-22-20(25)16(23)15-17(24)21(22)26/h15H,2-14H2,1H3

InChI Key

IRIJTHQPBYIEGU-UHFFFAOYSA-N

Formula

C22H30Cl4O4

SMILES

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

Molecular Weight¹

500.28

• 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	1.1722		Relay (1.0) Calculated Property
ΔfG°	-307.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.58	kJ/mol	Joback Calculated Property
ΔvapH°	126.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-8.24		Relay (1.0) Calculated Property
logPoct/wat	8.450		Crippen Calculated Property
McVol	360.920	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[3357.00; 3357.00]
Inp	3357.00		NIST
Inp	3357.00		NIST
Tboil	675.66	K	Relay (1.0) Calculated Property
Tc	932.36	K	Relay (1.0) Calculated Property
Tfus	332.22	K	Relay (1.0) Calculated Property
Vc	1.341	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.01; 1135.56]	J/mol×K	[1051.66; 1287.64]
Cp,gas	1089.01	J/mol×K	1051.66	Joback Calculated Property
Cp,gas	1100.39	J/mol×K	1090.99	Joback Calculated Property
Cp,gas	1110.27	J/mol×K	1130.32	Joback Calculated Property
Cp,gas	1118.70	J/mol×K	1169.65	Joback Calculated Property
Cp,gas	1125.71	J/mol×K	1208.98	Joback Calculated Property
Cp,gas	1131.32	J/mol×K	1248.31	Joback Calculated Property
Cp,gas	1135.56	J/mol×K	1287.64	Joback Calculated Property
η	[0.0000223; 0.0001497]	Pa×s	[678.20; 1051.66]
η	0.0001497	Pa×s	678.20	Joback Calculated Property
η	0.0000954	Pa×s	740.44	Joback Calculated Property
η	0.0000652	Pa×s	802.69	Joback Calculated Property
η	0.0000471	Pa×s	864.93	Joback Calculated Property
η	0.0000355	Pa×s	927.17	Joback Calculated Property
η	0.0000278	Pa×s	989.42	Joback Calculated Property
η	0.0000223	Pa×s	1051.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic 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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