Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-octyl ester

InChI

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

InChI Key

GBLSADZZJBTMAT-UHFFFAOYSA-N

Formula

C19H26Cl2O4

SMILES

CCCCCC(CC)OC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

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).
• 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°	51.84	kJ/mol	Joback Calculated Property
logPoct/wat	5.971		Crippen Calculated Property
McVol	294.170	ml/mol	McGowan Calculated Property
Inp	[2582.00; 2582.00]
Inp	2582.00		NIST
Inp	2582.00		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	[415.56; 908.25]	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			5.52280e+01
Coefficient B			1.52084e+00
Coefficient C			-7.61720e-04
Coefficient D			9.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.56	J/mol×K	273.00	Calculated Property
Cp,gas	502.09	J/mol×K	353.78	Calculated Property
Cp,gas	579.98	J/mol×K	434.56	Calculated Property
Cp,gas	649.53	J/mol×K	515.33	Calculated Property
Cp,gas	711.03	J/mol×K	596.11	Calculated Property
Cp,gas	764.79	J/mol×K	676.89	Calculated Property
Cp,gas	811.09	J/mol×K	757.67	Calculated Property
Cp,gas	850.23	J/mol×K	838.44	Calculated Property
Cp,gas	882.52	J/mol×K	919.22	Calculated Property
Cp,gas	908.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005928; 0.0000585]	Pa×s	[484.85; 748.11]	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			-1.40106e+01
Coefficient B			3.19028e+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.			484.85
Temperature range, max.			748.11
η	0.0005928	Pa×s	484.85	Calculated Property
η	0.0004077	Pa×s	514.10	Calculated Property
η	0.0002919	Pa×s	543.35	Calculated Property
η	0.0002163	Pa×s	572.60	Calculated Property
η	0.0001650	Pa×s	601.85	Calculated Property
η	0.0001290	Pa×s	631.10	Calculated Property
η	0.0001031	Pa×s	660.35	Calculated Property
η	0.0000840	Pa×s	689.60	Calculated Property
η	0.0000696	Pa×s	718.85	Calculated Property
η	0.0000585	Pa×s	748.11	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-octyl 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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