Chemical Properties of Sebacic acid, 2-chloro-5-methylphenyl isohexyl ester

InChI

InChI=1S/C23H35ClO4/c1-18(2)11-10-16-27-22(25)12-8-6-4-5-7-9-13-23(26)28-21-17-19(3)14-15-20(21)24/h14-15,17-18H,4-13,16H2,1-3H3

InChI Key

WDVHCQAVKUFGRC-UHFFFAOYSA-N

Formula

C23H35ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCCCCCCC(=O)OCCCC(C)C)c1

Molecular Weight¹

410.98

• 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	1.0810		Relay (... Calculated Property
ΔfG°	-246.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.96	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.84	kJ/mol	Joback Calculated Property
ΔvapH°	113.21	kJ/mol	Relay (... Calculated Property
IE	8.28	eV	Relay (... Calculated Property
log10WS	-6.55		Relay (... Calculated Property
logPoct/wat	6.654		Crippen Calculated Property
McVol	338.290	ml/mol	McGowan Calculated Property
Pc	1066.57	kPa	Joback Calculated Property
Inp	[2946.00; 2946.00]
Inp	2946.00		NIST
Inp	2946.00		NIST
Tboil	658.54	K	Relay (... Calculated Property
Tc	876.66	K	Relay (... Calculated Property
Tfus	324.40	K	Relay (... Calculated Property
Vc	1.256	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.61; 1157.71]	J/mol×K	[951.85; 1166.48]
Cp,gas	1084.61	J/mol×K	951.85	Joback Calculated Property
Cp,gas	1100.12	J/mol×K	987.62	Joback Calculated Property
Cp,gas	1114.25	J/mol×K	1023.39	Joback Calculated Property
Cp,gas	1127.04	J/mol×K	1059.16	Joback Calculated Property
Cp,gas	1138.53	J/mol×K	1094.93	Joback Calculated Property
Cp,gas	1148.74	J/mol×K	1130.70	Joback Calculated Property
Cp,gas	1157.71	J/mol×K	1166.48	Joback Calculated Property
η	[0.0000282; 0.0003328]	Pa×s	[559.67; 951.85]
η	0.0003328	Pa×s	559.67	Joback Calculated Property
η	0.0001779	Pa×s	625.03	Joback Calculated Property
η	0.0001070	Pa×s	690.40	Joback Calculated Property
η	0.0000703	Pa×s	755.76	Joback Calculated Property
η	0.0000494	Pa×s	821.12	Joback Calculated Property
η	0.0000366	Pa×s	886.49	Joback Calculated Property
η	0.0000282	Pa×s	951.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-chloro-5-methylphenyl isohexyl ester.

Sources

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

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