Chemical Properties of 2-chlorohexyl dichloroacetate

InChI

InChI=1S/C8H13Cl3O2/c1-2-3-4-6(9)5-13-8(12)7(10)11/h6-7H,2-5H2,1H3

InChI Key

PFUJZHGZRURGIP-UHFFFAOYSA-N

Formula

C8H13Cl3O2

SMILES

CCCCC(Cl)COC(=O)C(Cl)Cl

Molecular Weight¹

247.55

Other Names

• 1-Hexanol, 2-chloro, dichloroacetate

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-572.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.39	kJ/mol	Joback Calculated Property
ΔvapH°	66.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.131		Crippen Calculated Property
McVol	167.740	ml/mol	McGowan Calculated Property
Inp	[1396.00; 1425.00]
Inp	1396.00		NIST
Inp	1409.00		NIST
Inp	1412.00		NIST
Inp	1418.00		NIST
Inp	1425.00		NIST
Inp	1396.00		NIST
I	[2037.00; 2047.00]
I	2037.00		NIST
I	2044.00		NIST
I	2047.00		NIST
Tboil	516.64	K	Relay (1.0) Calculated Property
Tfus	255.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.36; 417.87]	J/mol×K	[552.27; 748.15]
Cp,gas	357.36	J/mol×K	552.27	Joback Calculated Property
Cp,gas	368.96	J/mol×K	584.92	Joback Calculated Property
Cp,gas	379.94	J/mol×K	617.56	Joback Calculated Property
Cp,gas	390.31	J/mol×K	650.21	Joback Calculated Property
Cp,gas	400.08	J/mol×K	682.86	Joback Calculated Property
Cp,gas	409.26	J/mol×K	715.50	Joback Calculated Property
Cp,gas	417.87	J/mol×K	748.15	Joback Calculated Property
η	[0.0001955; 0.0067729]	Pa×s	[282.01; 552.27]
η	0.0067729	Pa×s	282.01	Joback Calculated Property
η	0.0024972	Pa×s	327.05	Joback Calculated Property
η	0.0011723	Pa×s	372.10	Joback Calculated Property
η	0.0006480	Pa×s	417.14	Joback Calculated Property
η	0.0004020	Pa×s	462.18	Joback Calculated Property
η	0.0002715	Pa×s	507.23	Joback Calculated Property
η	0.0001955	Pa×s	552.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chlorohexyl dichloroacetate.

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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