Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-methylpent-3-yl ester

InChI

InChI=1S/C19H32O4/c1-5-17(14(2)3)23-19(21)12-8-11-18(20)22-13-16-10-7-6-9-15(16)4/h14,17H,5-13H2,1-4H3

InChI Key

DTOFYLQVDMAUSC-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCC(OC(=O)CCCC(=O)OCC1=C(C)CCCC1)C(C)C

Molecular Weight¹

324.45

• 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°	37.87	kJ/mol	Joback Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Inp	[2174.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		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	[398.83; 957.88]	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			-2.09500e+00
Coefficient B			1.68468e+00
Coefficient C			-8.16600e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.83	J/mol×K	273.00	Calculated Property
Cp,gas	495.77	J/mol×K	353.78	Calculated Property
Cp,gas	583.33	J/mol×K	434.56	Calculated Property
Cp,gas	661.79	J/mol×K	515.33	Calculated Property
Cp,gas	731.45	J/mol×K	596.11	Calculated Property
Cp,gas	792.60	J/mol×K	676.89	Calculated Property
Cp,gas	845.53	J/mol×K	757.67	Calculated Property
Cp,gas	890.52	J/mol×K	838.44	Calculated Property
Cp,gas	927.88	J/mol×K	919.22	Calculated Property
Cp,gas	957.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018060; 0.0000639]	Pa×s	[395.97; 686.30]	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			-1.42168e+01
Coefficient B			3.12824e+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.			395.97
Temperature range, max.			686.30
η	0.0018060	Pa×s	395.97	Calculated Property
η	0.0009960	Pa×s	428.23	Calculated Property
η	0.0005970	Pa×s	460.49	Calculated Property
η	0.0003827	Pa×s	492.75	Calculated Property
η	0.0002591	Pa×s	525.01	Calculated Property
η	0.0001835	Pa×s	557.27	Calculated Property
η	0.0001350	Pa×s	589.53	Calculated Property
η	0.0001025	Pa×s	621.79	Calculated Property
η	0.0000800	Pa×s	654.04	Calculated Property
η	0.0000639	Pa×s	686.30	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-methylpent-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

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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