Chemical Properties of 2-(2,4,5-Trichlorophenoxy)propyl 2,2-dichloropropanoate (CAS 100062-67-7)

InChI

InChI=1S/C12H11Cl5O3/c1-6(5-19-11(18)12(2,16)17)20-10-4-8(14)7(13)3-9(10)15/h3-4,6H,5H2,1-2H3

InChI Key

FYNTVSDGWGTGOI-UHFFFAOYSA-N

Formula

C12H11Cl5O3

SMILES

CC(COC(=O)C(C)(Cl)Cl)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

380.48

CAS

100062-67-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[307.43; 580.74]	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			9.01810e+01
Coefficient B			9.34140e-01
Coefficient C			-5.30480e-04
Coefficient D			8.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.43	J/mol×K	273.00	Calculated Property
Cp,gas	358.11	J/mol×K	353.78	Calculated Property
Cp,gas	403.07	J/mol×K	434.56	Calculated Property
Cp,gas	442.59	J/mol×K	515.33	Calculated Property
Cp,gas	476.93	J/mol×K	596.11	Calculated Property
Cp,gas	506.39	J/mol×K	676.89	Calculated Property
Cp,gas	531.22	J/mol×K	757.67	Calculated Property
Cp,gas	551.70	J/mol×K	838.44	Calculated Property
Cp,gas	568.12	J/mol×K	919.22	Calculated Property
Cp,gas	580.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005347; 0.0000820]	Pa×s	[490.56; 711.00]	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			-1.35816e+01
Coefficient B			2.96677e+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.			490.56
Temperature range, max.			711.00
η	0.0005347	Pa×s	490.56	Calculated Property
η	0.0004010	Pa×s	515.05	Calculated Property
η	0.0003088	Pa×s	539.55	Calculated Property
η	0.0002432	Pa×s	564.04	Calculated Property
η	0.0001954	Pa×s	588.53	Calculated Property
η	0.0001597	Pa×s	613.03	Calculated Property
η	0.0001326	Pa×s	637.52	Calculated Property
η	0.0001117	Pa×s	662.01	Calculated Property
η	0.0000952	Pa×s	686.51	Calculated Property
η	0.0000820	Pa×s	711.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,4,5-Trichlorophenoxy)propyl 2,2-dichloropropanoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.