Chemical Properties of 2-Methylvaleric acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C12H14Cl2O2/c1-3-4-8(2)12(15)16-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3

InChI Key

VOBRYODGNSVURY-UHFFFAOYSA-N

Formula

C12H14Cl2O2

SMILES

CCCC(C)C(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

261.14

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.34	kJ/mol	Joback Calculated Property
logPoct/wat	4.335		Crippen Calculated Property
McVol	188.100	ml/mol	McGowan Calculated Property
Inp	[1766.00; 1766.00]
Inp	1766.00		NIST
Inp	1766.00		NIST
Tfus	289.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[250.72; 539.00]	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			3.61820e+01
Coefficient B			9.10640e-01
Coefficient C			-4.75520e-04
Coefficient D			6.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.72	J/mol×K	273.00	Calculated Property
Cp,gas	301.83	J/mol×K	353.78	Calculated Property
Cp,gas	347.66	J/mol×K	434.56	Calculated Property
Cp,gas	388.45	J/mol×K	515.33	Calculated Property
Cp,gas	424.39	J/mol×K	596.11	Calculated Property
Cp,gas	455.71	J/mol×K	676.89	Calculated Property
Cp,gas	482.61	J/mol×K	757.67	Calculated Property
Cp,gas	505.32	J/mol×K	838.44	Calculated Property
Cp,gas	524.05	J/mol×K	919.22	Calculated Property
Cp,gas	539.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017279; 0.0001672]	Pa×s	[363.63; 602.65]	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			-1.22499e+01
Coefficient B			2.14144e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			363.63
Temperature range, max.			602.65
η	0.0017279	Pa×s	363.63	Calculated Property
η	0.0011573	Pa×s	390.19	Calculated Property
η	0.0008157	Pa×s	416.75	Calculated Property
η	0.0005996	Pa×s	443.30	Calculated Property
η	0.0004563	Pa×s	469.86	Calculated Property
η	0.0003576	Pa×s	496.42	Calculated Property
η	0.0002872	Pa×s	522.98	Calculated Property
η	0.0002357	Pa×s	549.54	Calculated Property
η	0.0001969	Pa×s	576.10	Calculated Property
η	0.0001672	Pa×s	602.65	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylvaleric acid, 3,4-dichlorophenyl 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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