Chemical Properties of Glutaric acid, 1-phenyl-2-(3-cyclohexenyl)ethyl propyl ester

InChI

InChI=1S/C22H30O4/c1-2-16-25-21(23)14-9-15-22(24)26-20(19-12-7-4-8-13-19)17-18-10-5-3-6-11-18/h4-5,7-8,10,12-13,18,20H,2-3,6,9,11,14-17H2,1H3

InChI Key

YDGKRZASURGGEY-UHFFFAOYSA-N

Formula

C22H30O4

SMILES

CCCOC(=O)CCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

358.47

• 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).
• 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°	45.05	kJ/mol	Joback Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	296.800	ml/mol	McGowan Calculated Property
Inp	[2643.00; 2643.00]
Inp	2643.00		NIST
Inp	2643.00		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	[402.69; 1006.34]	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			-5.97040e+01
Coefficient B			1.97732e+00
Coefficient C			-1.08648e-03
Coefficient D			1.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.69	J/mol×K	273.00	Calculated Property
Cp,gas	511.60	J/mol×K	353.78	Calculated Property
Cp,gas	608.76	J/mol×K	434.56	Calculated Property
Cp,gas	694.72	J/mol×K	515.33	Calculated Property
Cp,gas	770.03	J/mol×K	596.11	Calculated Property
Cp,gas	835.26	J/mol×K	676.89	Calculated Property
Cp,gas	890.94	J/mol×K	757.67	Calculated Property
Cp,gas	937.65	J/mol×K	838.44	Calculated Property
Cp,gas	975.93	J/mol×K	919.22	Calculated Property
Cp,gas	1006.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011784; 0.0000549]	Pa×s	[441.92; 756.03]	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			-1.41231e+01
Coefficient B			3.26115e+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.			441.92
Temperature range, max.			756.03
η	0.0011784	Pa×s	441.92	Calculated Property
η	0.0006866	Pa×s	476.82	Calculated Property
η	0.0004306	Pa×s	511.72	Calculated Property
η	0.0002867	Pa×s	546.62	Calculated Property
η	0.0002004	Pa×s	581.52	Calculated Property
η	0.0001459	Pa×s	616.42	Calculated Property
η	0.0001099	Pa×s	651.33	Calculated Property
η	0.0000852	Pa×s	686.23	Calculated Property
η	0.0000677	Pa×s	721.13	Calculated Property
η	0.0000549	Pa×s	756.03	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-phenyl-2-(3-cyclohexenyl)ethyl propyl 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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