Chemical Properties of Glutaric acid, 2,2-dichloroethyl (2-naphthyl)methyl ester

InChI

InChI=1S/C18H18Cl2O4/c19-16(20)12-24-18(22)7-3-6-17(21)23-11-13-8-9-14-4-1-2-5-15(14)10-13/h1-2,4-5,8-10,16H,3,6-7,11-12H2

InChI Key

RPWQRMHKPIYLMV-UHFFFAOYSA-N

Formula

C18H18Cl2O4

SMILES

O=C(CCCC(=O)OCC(Cl)Cl)OCc1ccc2ccccc2c1

Molecular Weight¹

369.24

• 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°	46.66	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
logPoct/wat	4.400		Crippen Calculated Property
McVol	260.620	ml/mol	McGowan Calculated Property
Inp	[2850.00; 2850.00]
Inp	2850.00		NIST
Inp	2850.00		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	[350.80; 768.92]	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			1.03950e+01
Coefficient B			1.48160e+00
Coefficient C			-9.11080e-04
Coefficient D			1.88000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.80	J/mol×K	273.00	Calculated Property
Cp,gas	428.85	J/mol×K	353.78	Calculated Property
Cp,gas	497.61	J/mol×K	434.56	Calculated Property
Cp,gas	557.69	J/mol×K	515.33	Calculated Property
Cp,gas	609.67	J/mol×K	596.11	Calculated Property
Cp,gas	654.14	J/mol×K	676.89	Calculated Property
Cp,gas	691.71	J/mol×K	757.67	Calculated Property
Cp,gas	722.97	J/mol×K	838.44	Calculated Property
Cp,gas	748.50	J/mol×K	919.22	Calculated Property
Cp,gas	768.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008546; 0.0001173]	Pa×s	[493.76; 752.85]	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			-1.28365e+01
Coefficient B			2.84982e+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.			493.76
Temperature range, max.			752.85
η	0.0008546	Pa×s	493.76	Calculated Property
η	0.0006218	Pa×s	522.55	Calculated Property
η	0.0004677	Pa×s	551.34	Calculated Property
η	0.0003619	Pa×s	580.12	Calculated Property
η	0.0002869	Pa×s	608.91	Calculated Property
η	0.0002323	Pa×s	637.70	Calculated Property
η	0.0001915	Pa×s	666.49	Calculated Property
η	0.0001604	Pa×s	695.28	Calculated Property
η	0.0001363	Pa×s	724.07	Calculated Property
η	0.0001173	Pa×s	752.85	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl (2-naphthyl)methyl 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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