Chemical Properties of Glutaric acid, hept-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C19H27ClO5/c1-4-5-6-8-14(2)24-18(21)9-7-10-19(22)25-16-12-11-15(20)13-17(16)23-3/h11-14H,4-10H2,1-3H3

InChI Key

IXSYWCHIWWGRJX-UHFFFAOYSA-N

Formula

C19H27ClO5

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

370.87

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.83	kJ/mol	Joback Calculated Property
logPoct/wat	4.936		Crippen Calculated Property
McVol	287.800	ml/mol	McGowan Calculated Property
Inp	[2536.00; 2536.00]
Inp	2536.00		NIST
Inp	2536.00		NIST
Tboil	642.10	K	Relay (1.0) Calculated Property
Tfus	304.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[417.56; 918.48]	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			6.78370e+01
Coefficient B			1.45086e+00
Coefficient C			-6.30320e-04
Coefficient D			3.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.56	J/mol×K	273.00	Calculated Property
Cp,gas	503.56	J/mol×K	353.78	Calculated Property
Cp,gas	581.76	J/mol×K	434.56	Calculated Property
Cp,gas	652.24	J/mol×K	515.33	Calculated Property
Cp,gas	715.10	J/mol×K	596.11	Calculated Property
Cp,gas	770.44	J/mol×K	676.89	Calculated Property
Cp,gas	818.36	J/mol×K	757.67	Calculated Property
Cp,gas	858.94	J/mol×K	838.44	Calculated Property
Cp,gas	892.28	J/mol×K	919.22	Calculated Property
Cp,gas	918.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005166; 0.0000514]	Pa×s	[477.16; 734.80]	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			-1.41511e+01
Coefficient B			3.14105e+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.			477.16
Temperature range, max.			734.80
η	0.0005166	Pa×s	477.16	Calculated Property
η	0.0003559	Pa×s	505.79	Calculated Property
η	0.0002552	Pa×s	534.41	Calculated Property
η	0.0001893	Pa×s	563.04	Calculated Property
η	0.0001445	Pa×s	591.67	Calculated Property
η	0.0001131	Pa×s	620.29	Calculated Property
η	0.0000905	Pa×s	648.92	Calculated Property
η	0.0000737	Pa×s	677.55	Calculated Property
η	0.0000611	Pa×s	706.17	Calculated Property
η	0.0000514	Pa×s	734.80	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 4-chloro-2-methoxyphenyl 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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