Chemical Properties of Diethylmalonic acid, 2-chlorophenyl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H29ClO4/c1-6-11-16(14(4)5)24-18(22)20(7-2,8-3)19(23)25-17-13-10-9-12-15(17)21/h9-10,12-14,16H,6-8,11H2,1-5H3

InChI Key

WPRTVIXEATXAFN-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl)C(C)C

Molecular Weight¹

368.90

• 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°	39.68	kJ/mol	Joback Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
logPoct/wat	5.420		Crippen Calculated Property
McVol	296.020	ml/mol	McGowan Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		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	[419.04; 956.61]	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			9.74000e-01
Coefficient B			1.80030e+00
Coefficient C			-1.03776e-03
Coefficient D			1.93100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.04	J/mol×K	273.00	Calculated Property
Cp,gas	516.55	J/mol×K	353.78	Calculated Property
Cp,gas	603.18	J/mol×K	434.56	Calculated Property
Cp,gas	679.56	J/mol×K	515.33	Calculated Property
Cp,gas	746.29	J/mol×K	596.11	Calculated Property
Cp,gas	803.98	J/mol×K	676.89	Calculated Property
Cp,gas	853.25	J/mol×K	757.67	Calculated Property
Cp,gas	894.71	J/mol×K	838.44	Calculated Property
Cp,gas	928.96	J/mol×K	919.22	Calculated Property
Cp,gas	956.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009814; 0.0000437]	Pa×s	[441.10; 733.59]	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			-1.47315e+01
Coefficient B			3.44274e+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.			441.10
Temperature range, max.			733.59
η	0.0009814	Pa×s	441.10	Calculated Property
η	0.0005744	Pa×s	473.60	Calculated Property
η	0.0003602	Pa×s	506.10	Calculated Property
η	0.0002389	Pa×s	538.60	Calculated Property
η	0.0001661	Pa×s	571.10	Calculated Property
η	0.0001200	Pa×s	603.60	Calculated Property
η	0.0000897	Pa×s	636.10	Calculated Property
η	0.0000689	Pa×s	668.60	Calculated Property
η	0.0000543	Pa×s	701.09	Calculated Property
η	0.0000437	Pa×s	733.59	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl 2-methylhex-3-yl 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.