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

InChI

InChI=1S/C19H27ClO4/c1-14(2)7-6-12-23-18(21)8-4-5-9-19(22)24-17-13-15(3)10-11-16(17)20/h10-11,13-14H,4-9,12H2,1-3H3

InChI Key

HWCPTZSIRRNGSL-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

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

Molecular Weight¹

354.87

• 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	0.9318		Relay (... Calculated Property
ΔfG°	-279.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-879.11	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.48	kJ/mol	Joback Calculated Property
ΔvapH°	98.93	kJ/mol	Relay (... Calculated Property
IE	8.23	eV	Relay (... Calculated Property
log10WS	-5.28		Relay (... Calculated Property
logPoct/wat	5.094		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1394.37	kPa	Joback Calculated Property
Inp	[2492.00; 2492.00]
Inp	2492.00		NIST
Inp	2492.00		NIST
Tboil	631.29	K	Relay (... Calculated Property
Tc	845.66	K	Relay (... Calculated Property
Tfus	313.44	K	Relay (... Calculated Property
Vc	1.037	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[845.93; 917.86]	J/mol×K	[860.33; 1067.39]
Cp,gas	845.93	J/mol×K	860.33	Joback Calculated Property
Cp,gas	860.72	J/mol×K	894.84	Joback Calculated Property
Cp,gas	874.36	J/mol×K	929.35	Joback Calculated Property
Cp,gas	886.88	J/mol×K	963.86	Joback Calculated Property
Cp,gas	898.29	J/mol×K	998.37	Joback Calculated Property
Cp,gas	908.61	J/mol×K	1032.88	Joback Calculated Property
Cp,gas	917.86	J/mol×K	1067.39	Joback Calculated Property
η	[0.0000507; 0.0005178]	Pa×s	[514.59; 860.33]
η	0.0005178	Pa×s	514.59	Joback Calculated Property
η	0.0002892	Pa×s	572.21	Joback Calculated Property
η	0.0001797	Pa×s	629.84	Joback Calculated Property
η	0.0001209	Pa×s	687.46	Joback Calculated Property
η	0.0000865	Pa×s	745.08	Joback Calculated Property
η	0.0000650	Pa×s	802.71	Joback Calculated Property
η	0.0000507	Pa×s	860.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic 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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