Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl isohexyl ester

InChI

InChI=1S/C18H25ClO4/c1-13(2)6-5-11-22-17(20)7-4-8-18(21)23-15-9-10-16(19)14(3)12-15/h9-10,12-13H,4-8,11H2,1-3H3

InChI Key

RUSZSUGDTFLUAU-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

Cc1cc(OC(=O)CCCC(=O)OCCCC(C)C)ccc1Cl

Molecular Weight¹

340.84

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-864.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.05	kJ/mol	Joback Calculated Property
ΔvapH°	96.76	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.704		Crippen Calculated Property
McVol	267.840	ml/mol	McGowan Calculated Property
Inp	[2480.00; 2480.00]
Inp	2480.00		NIST
Inp	2480.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.94; 848.39]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.32460e+01
Coefficient B			1.41906e+00
Coefficient C			-6.86920e-04
Coefficient D			7.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.94	J/mol×K	273.00	Calculated Property
Cp,gas	462.54	J/mol×K	353.78	Calculated Property
Cp,gas	536.18	J/mol×K	434.56	Calculated Property
Cp,gas	602.10	J/mol×K	515.33	Calculated Property
Cp,gas	660.53	J/mol×K	596.11	Calculated Property
Cp,gas	711.70	J/mol×K	676.89	Calculated Property
Cp,gas	755.84	J/mol×K	757.67	Calculated Property
Cp,gas	793.18	J/mol×K	838.44	Calculated Property
Cp,gas	823.95	J/mol×K	919.22	Calculated Property
Cp,gas	848.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008604; 0.0000757]	Pa×s	[443.66; 702.85]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36506e+01
Coefficient B			2.92480e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			443.66
Temperature range, max.			702.85
η	0.0008604	Pa×s	443.66	Calculated Property
η	0.0005757	Pa×s	472.46	Calculated Property
η	0.0004034	Pa×s	501.26	Calculated Property
η	0.0002938	Pa×s	530.06	Calculated Property
η	0.0002211	Pa×s	558.86	Calculated Property
η	0.0001711	Pa×s	587.66	Calculated Property
η	0.0001356	Pa×s	616.46	Calculated Property
η	0.0001097	Pa×s	645.26	Calculated Property
η	0.0000904	Pa×s	674.05	Calculated Property
η	0.0000757	Pa×s	702.85	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-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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