Chemical Properties of Glutaric acid, 3,4-dimethylcyclohexyl 2,2-dichloroethyl ester

InChI

InChI=1S/C15H24Cl2O4/c1-10-6-7-12(8-11(10)2)21-15(19)5-3-4-14(18)20-9-13(16)17/h10-13H,3-9H2,1-2H3

InChI Key

BKFDHFMOOKJPKL-UHFFFAOYSA-N

Formula

C15H24Cl2O4

SMILES

CC1CCC(OC(=O)CCCC(=O)OCC(Cl)Cl)CC1C

Molecular Weight¹

339.25

• 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°	42.19	kJ/mol	Joback Calculated Property
logPoct/wat	3.872		Crippen Calculated Property
McVol	250.710	ml/mol	McGowan Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		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	[349.27; 824.88]	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			1.04440e+01
Coefficient B			1.40784e+00
Coefficient C			-6.17200e-04
Coefficient D			2.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.27	J/mol×K	273.00	Calculated Property
Cp,gas	432.31	J/mol×K	353.78	Calculated Property
Cp,gas	507.63	J/mol×K	434.56	Calculated Property
Cp,gas	575.30	J/mol×K	515.33	Calculated Property
Cp,gas	635.39	J/mol×K	596.11	Calculated Property
Cp,gas	687.99	J/mol×K	676.89	Calculated Property
Cp,gas	733.16	J/mol×K	757.67	Calculated Property
Cp,gas	770.98	J/mol×K	838.44	Calculated Property
Cp,gas	801.53	J/mol×K	919.22	Calculated Property
Cp,gas	824.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021619; 0.0001452]	Pa×s	[387.21; 663.37]	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			-1.26232e+01
Coefficient B			2.51163e+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.			387.21
Temperature range, max.			663.37
η	0.0021619	Pa×s	387.21	Calculated Property
η	0.0013427	Pa×s	417.89	Calculated Property
η	0.0008901	Pa×s	448.58	Calculated Property
η	0.0006220	Pa×s	479.26	Calculated Property
η	0.0004537	Pa×s	509.95	Calculated Property
η	0.0003431	Pa×s	540.63	Calculated Property
η	0.0002673	Pa×s	571.32	Calculated Property
η	0.0002137	Pa×s	602.00	Calculated Property
η	0.0001745	Pa×s	632.69	Calculated Property
η	0.0001452	Pa×s	663.37	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl 2,2-dichloroethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.