Chemical Properties of Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester

InChI

InChI=1S/C21H30O4/c1-16(2)18-11-6-7-12-19(18)25-21(23)14-8-13-20(22)24-15-17-9-4-3-5-10-17/h6-7,11-12,16-17H,3-5,8-10,13-15H2,1-2H3

InChI Key

NLOFNTXSKKTZPJ-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

346.47

• 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

Property	Value	Unit	Source
ΔfusH°	40.85	kJ/mol	Joback Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	5.009		Crippen Calculated Property
McVol	287.010	ml/mol	McGowan Calculated Property
Inp	[2542.00; 2542.00]
Inp	2542.00		NIST
Inp	2542.00		NIST
Tfus	306.05	K	Relay (1.0) Calculated Property

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	[390.51; 983.00]	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			-5.22760e+01
Coefficient B			1.87884e+00
Coefficient C			-9.77760e-04
Coefficient D			1.34200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.51	J/mol×K	273.00	Calculated Property
Cp,gas	495.98	J/mol×K	353.78	Calculated Property
Cp,gas	590.56	J/mol×K	434.56	Calculated Property
Cp,gas	674.66	J/mol×K	515.33	Calculated Property
Cp,gas	748.70	J/mol×K	596.11	Calculated Property
Cp,gas	813.12	J/mol×K	676.89	Calculated Property
Cp,gas	868.34	J/mol×K	757.67	Calculated Property
Cp,gas	914.77	J/mol×K	838.44	Calculated Property
Cp,gas	952.85	J/mol×K	919.22	Calculated Property
Cp,gas	983.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011170; 0.0000587]	Pa×s	[442.41; 744.64]	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			-1.40562e+01
Coefficient B			3.21149e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			442.41
Temperature range, max.			744.64
η	0.0011170	Pa×s	442.41	Calculated Property
η	0.0006693	Pa×s	475.99	Calculated Property
η	0.0004291	Pa×s	509.57	Calculated Property
η	0.0002906	Pa×s	543.15	Calculated Property
η	0.0002060	Pa×s	576.73	Calculated Property
η	0.0001516	Pa×s	610.31	Calculated Property
η	0.0001152	Pa×s	643.89	Calculated Property
η	0.0000900	Pa×s	677.48	Calculated Property
η	0.0000719	Pa×s	711.06	Calculated Property
η	0.0000587	Pa×s	744.64	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 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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