Chemical Properties of Glutaric acid, monochloride, 2-isopropylphenyl ester

InChI

InChI=1S/C14H17ClO3/c1-10(2)11-6-3-4-7-12(11)18-14(17)9-5-8-13(15)16/h3-4,6-7,10H,5,8-9H2,1-2H3

InChI Key

REFITRWAQBJRDF-UHFFFAOYSA-N

Formula

C14H17ClO3

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)Cl

Molecular Weight¹

268.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[278.12; 625.97]	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			1.45330e+01
Coefficient B			1.12534e+00
Coefficient C			-6.12260e-04
Coefficient D			9.83600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.12	J/mol×K	273.00	Calculated Property
Cp,gas	340.38	J/mol×K	353.78	Calculated Property
Cp,gas	396.01	J/mol×K	434.56	Calculated Property
Cp,gas	445.32	J/mol×K	515.33	Calculated Property
Cp,gas	488.63	J/mol×K	596.11	Calculated Property
Cp,gas	526.24	J/mol×K	676.89	Calculated Property
Cp,gas	558.47	J/mol×K	757.67	Calculated Property
Cp,gas	585.63	J/mol×K	838.44	Calculated Property
Cp,gas	608.03	J/mol×K	919.22	Calculated Property
Cp,gas	625.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017791; 0.0001617]	Pa×s	[393.66; 639.47]	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			-1.25703e+01
Coefficient B			2.45589e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			393.66
Temperature range, max.			639.47
η	0.0017791	Pa×s	393.66	Calculated Property
η	0.0011869	Pa×s	420.97	Calculated Property
η	0.0008319	Pa×s	448.28	Calculated Property
η	0.0006073	Pa×s	475.60	Calculated Property
η	0.0004588	Pa×s	502.91	Calculated Property
η	0.0003568	Pa×s	530.22	Calculated Property
η	0.0002843	Pa×s	557.53	Calculated Property
η	0.0002315	Pa×s	584.84	Calculated Property
η	0.0001919	Pa×s	612.15	Calculated Property
η	0.0001617	Pa×s	639.47	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 2-isopropylphenyl 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

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