Chemical Properties of 6-chlorohexyl dichloroacetate

InChI

InChI=1S/C8H13Cl3O2/c9-5-3-1-2-4-6-13-8(12)7(10)11/h7H,1-6H2

InChI Key

NTHUGYDCPBABME-UHFFFAOYSA-N

Formula

C8H13Cl3O2

SMILES

O=C(OCCCCCCCl)C(Cl)Cl

Molecular Weight¹

247.55

Other Names

• 1-Hexanol, 6-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	-565.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.91	kJ/mol	Joback Calculated Property
ΔvapH°	70.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.133		Crippen Calculated Property
McVol	167.740	ml/mol	McGowan Calculated Property
Inp	[1509.00; 1557.00]
Inp	1509.00		NIST
Inp	1535.00		NIST
Inp	1541.00		NIST
Inp	1550.00		NIST
Inp	1557.00		NIST
Inp	1509.00		NIST
I	[2281.00; 2312.00]
I	2281.00		NIST
I	2300.00		NIST
I	2312.00		NIST
I	2281.00		NIST
Tboil	524.68	K	Relay (1.0) Calculated Property
Tfus	266.96	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	[356.99; 416.23]	J/mol×K	[552.71; 744.67]
Cp,gas	356.99	J/mol×K	552.71	Joback Calculated Property
Cp,gas	368.30	J/mol×K	584.70	Joback Calculated Property
Cp,gas	379.02	J/mol×K	616.70	Joback Calculated Property
Cp,gas	389.17	J/mol×K	648.69	Joback Calculated Property
Cp,gas	398.74	J/mol×K	680.68	Joback Calculated Property
Cp,gas	407.76	J/mol×K	712.68	Joback Calculated Property
Cp,gas	416.23	J/mol×K	744.67	Joback Calculated Property
η	[0.0002081; 0.0047290]	Pa×s	[297.01; 552.71]
η	0.0047290	Pa×s	297.01	Joback Calculated Property
η	0.0020270	Pa×s	339.63	Joback Calculated Property
η	0.0010495	Pa×s	382.24	Joback Calculated Property
η	0.0006201	Pa×s	424.86	Joback Calculated Property
η	0.0004033	Pa×s	467.48	Joback Calculated Property
η	0.0002818	Pa×s	510.09	Joback Calculated Property
η	0.0002081	Pa×s	552.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-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

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