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

InChI

InChI=1S/C24H34O4/c1-2-18-27-23(25)16-10-5-11-17-24(26)28-22(21-14-8-4-9-15-21)19-20-12-6-3-7-13-20/h4,6,8-9,12,14-15,20,22H,2-3,5,7,10-11,13,16-19H2,1H3

InChI Key

FRXMXGBNISBSFE-UHFFFAOYSA-N

Formula

C24H34O4

SMILES

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

Molecular Weight¹

386.52

• 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°	50.23	kJ/mol	Joback Calculated Property
logPoct/wat	5.921		Crippen Calculated Property
McVol	324.980	ml/mol	McGowan Calculated Property
Inp	[2835.00; 2835.00]
Inp	2835.00		NIST
Inp	2835.00		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	[445.12; 1109.52]	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			-6.15220e+01
Coefficient B			2.16732e+00
Coefficient C			-1.19528e-03
Coefficient D			1.99000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.12	J/mol×K	273.00	Calculated Property
Cp,gas	564.44	J/mol×K	353.78	Calculated Property
Cp,gas	670.91	J/mol×K	434.56	Calculated Property
Cp,gas	765.18	J/mol×K	515.33	Calculated Property
Cp,gas	847.85	J/mol×K	596.11	Calculated Property
Cp,gas	919.58	J/mol×K	676.89	Calculated Property
Cp,gas	980.98	J/mol×K	757.67	Calculated Property
Cp,gas	1032.68	J/mol×K	838.44	Calculated Property
Cp,gas	1075.32	J/mol×K	919.22	Calculated Property
Cp,gas	1109.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008948; 0.0000424]	Pa×s	[464.46; 787.90]	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			-1.44458e+01
Coefficient B			3.44947e+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.			464.46
Temperature range, max.			787.90
η	0.0008948	Pa×s	464.46	Calculated Property
η	0.0005249	Pa×s	500.40	Calculated Property
η	0.0003307	Pa×s	536.33	Calculated Property
η	0.0002208	Pa×s	572.27	Calculated Property
η	0.0001547	Pa×s	608.21	Calculated Property
η	0.0001127	Pa×s	644.15	Calculated Property
η	0.0000849	Pa×s	680.08	Calculated Property
η	0.0000658	Pa×s	716.02	Calculated Property
η	0.0000523	Pa×s	751.96	Calculated Property
η	0.0000424	Pa×s	787.90	Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)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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