Chemical Properties of Glutaric acid, cyclohexylmethyl cis-hex-3-enyl ester

InChI

InChI=1S/C18H30O4/c1-2-3-4-8-14-21-17(19)12-9-13-18(20)22-15-16-10-6-5-7-11-16/h3-4,16H,2,5-15H2,1H3/b4-3-

InChI Key

QTYYKNWRABMOKX-ARJAWSKDSA-N

Formula

C18H30O4

SMILES

CCC=CCCOC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

310.43

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.15	kJ/mol	Joback Calculated Property
logPoct/wat	4.180		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	636.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[367.88; 918.68]	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			-4.24430e+01
Coefficient B			1.74632e+00
Coefficient C			-9.31000e-04
Coefficient D			1.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.88	J/mol×K	273.00	Calculated Property
Cp,gas	465.30	J/mol×K	353.78	Calculated Property
Cp,gas	552.59	J/mol×K	434.56	Calculated Property
Cp,gas	630.20	J/mol×K	515.33	Calculated Property
Cp,gas	698.61	J/mol×K	596.11	Calculated Property
Cp,gas	758.28	J/mol×K	676.89	Calculated Property
Cp,gas	809.65	J/mol×K	757.67	Calculated Property
Cp,gas	853.20	J/mol×K	838.44	Calculated Property
Cp,gas	889.39	J/mol×K	919.22	Calculated Property
Cp,gas	918.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021770; 0.0000846]	Pa×s	[379.58; 662.83]	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			-1.37310e+01
Coefficient B			2.88527e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			379.58
Temperature range, max.			662.83
η	0.0021770	Pa×s	379.58	Calculated Property
η	0.0012165	Pa×s	411.05	Calculated Property
η	0.0007384	Pa×s	442.53	Calculated Property
η	0.0004789	Pa×s	474.00	Calculated Property
η	0.0003279	Pa×s	505.47	Calculated Property
η	0.0002346	Pa×s	536.94	Calculated Property
η	0.0001742	Pa×s	568.42	Calculated Property
η	0.0001335	Pa×s	599.89	Calculated Property
η	0.0001050	Pa×s	631.36	Calculated Property
η	0.0000846	Pa×s	662.83	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl cis-hex-3-enyl 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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