Chemical Properties of Glutaric acid, cyclohexylmethyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C19H34O4/c1-14(2)19(15(3)4)23-18(21)12-8-11-17(20)22-13-16-9-6-5-7-10-16/h14-16,19H,5-13H2,1-4H3

InChI Key

YZKQHJSZAPRAPY-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

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

Molecular Weight¹

326.48

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.97	kJ/mol	Joback Calculated Property
logPoct/wat	4.504		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Inp	[2177.00; 2177.00]
Inp	2177.00		NIST
Inp	2177.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[402.16; 1002.46]	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			-3.42160e+01
Coefficient B			1.83908e+00
Coefficient C			-9.11200e-04
Coefficient D			1.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.16	J/mol×K	273.00	Calculated Property
Cp,gas	507.18	J/mol×K	353.78	Calculated Property
Cp,gas	601.82	J/mol×K	434.56	Calculated Property
Cp,gas	686.43	J/mol×K	515.33	Calculated Property
Cp,gas	761.33	J/mol×K	596.11	Calculated Property
Cp,gas	826.89	J/mol×K	676.89	Calculated Property
Cp,gas	883.43	J/mol×K	757.67	Calculated Property
Cp,gas	931.32	J/mol×K	838.44	Calculated Property
Cp,gas	970.88	J/mol×K	919.22	Calculated Property
Cp,gas	1002.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049196; 0.0000688]	Pa×s	[350.93; 675.92]	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			-1.41956e+01
Coefficient B			3.11665e+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.			350.93
Temperature range, max.			675.92
η	0.0049196	Pa×s	350.93	Calculated Property
η	0.0021482	Pa×s	387.04	Calculated Property
η	0.0010806	Pa×s	423.15	Calculated Property
η	0.0006055	Pa×s	459.26	Calculated Property
η	0.0003692	Pa×s	495.37	Calculated Property
η	0.0002408	Pa×s	531.48	Calculated Property
η	0.0001658	Pa×s	567.59	Calculated Property
η	0.0001194	Pa×s	603.70	Calculated Property
η	0.0000892	Pa×s	639.81	Calculated Property
η	0.0000688	Pa×s	675.92	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,4-dimethylpent-3-yl 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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