Chemical Properties of Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl ester

InChI

InChI=1S/C19H26Cl2O4/c1-13(2)12-14(3)24-17(22)10-5-4-6-11-18(23)25-19-15(20)8-7-9-16(19)21/h7-9,13-14H,4-6,10-12H2,1-3H3

InChI Key

TYILOVREPNXZOZ-UHFFFAOYSA-N

Formula

C19H26Cl2O4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

389.31

• 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).
• IE : Ionization energy (eV).
• 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°	48.31	kJ/mol	Joback Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
logPoct/wat	5.827		Crippen Calculated Property
McVol	294.170	ml/mol	McGowan Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		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, 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	[415.24; 908.79]	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			5.35460e+01
Coefficient B			1.52676e+00
Coefficient C			-7.64920e-04
Coefficient D			9.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.24	J/mol×K	273.00	Calculated Property
Cp,gas	502.08	J/mol×K	353.78	Calculated Property
Cp,gas	580.23	J/mol×K	434.56	Calculated Property
Cp,gas	649.98	J/mol×K	515.33	Calculated Property
Cp,gas	711.64	J/mol×K	596.11	Calculated Property
Cp,gas	765.49	J/mol×K	676.89	Calculated Property
Cp,gas	811.84	J/mol×K	757.67	Calculated Property
Cp,gas	850.97	J/mol×K	838.44	Calculated Property
Cp,gas	883.19	J/mol×K	919.22	Calculated Property
Cp,gas	908.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006933; 0.0000535]	Pa×s	[469.85; 749.16]	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			-1.41446e+01
Coefficient B			3.22810e+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.			469.85
Temperature range, max.			749.16
η	0.0006933	Pa×s	469.85	Calculated Property
η	0.0004529	Pa×s	500.88	Calculated Property
η	0.0003110	Pa×s	531.92	Calculated Property
η	0.0002225	Pa×s	562.95	Calculated Property
η	0.0001649	Pa×s	593.99	Calculated Property
η	0.0001259	Pa×s	625.02	Calculated Property
η	0.0000986	Pa×s	656.05	Calculated Property
η	0.0000790	Pa×s	687.09	Calculated Property
η	0.0000645	Pa×s	718.12	Calculated Property
η	0.0000535	Pa×s	749.16	Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl 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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