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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-879.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.64	kJ/mol	Joback Calculated Property
ΔvapH°	100.37	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.094		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Inp	[2492.00; 2492.00]
Inp	2492.00		NIST
Inp	2492.00		NIST
Tboil	631.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.26; 907.24]	J/mol×K	[824.39; 1026.58]
Cp,gas	834.26	J/mol×K	824.39	Joback Calculated Property
Cp,gas	849.33	J/mol×K	858.09	Joback Calculated Property
Cp,gas	863.21	J/mol×K	891.79	Joback Calculated Property
Cp,gas	875.92	J/mol×K	925.48	Joback Calculated Property
Cp,gas	887.48	J/mol×K	959.18	Joback Calculated Property
Cp,gas	897.92	J/mol×K	992.88	Joback Calculated Property
Cp,gas	907.24	J/mol×K	1026.58	Joback Calculated Property
η	[0.0000392; 0.0007669]	Pa×s	[454.93; 824.39]
η	0.0007669	Pa×s	454.93	Joback Calculated Property
η	0.0003477	Pa×s	516.51	Joback Calculated Property
η	0.0001865	Pa×s	578.08	Joback Calculated Property
η	0.0001128	Pa×s	639.66	Joback Calculated Property
η	0.0000745	Pa×s	701.24	Joback Calculated Property
η	0.0000527	Pa×s	762.81	Joback Calculated Property
η	0.0000392	Pa×s	824.39	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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