Chemical Properties of Chloroacetic acid, 6-chlorohexyl ester

InChI

InChI=1S/C8H14Cl2O2/c9-5-3-1-2-4-6-12-8(11)7-10/h1-7H2

InChI Key

VNGMYNDYUJRSGC-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

O=C(CCl)OCCCCCCCl

Molecular Weight¹

213.10

Other Names

• 1-Hexanol, 6-chloro, chloroacetate
• 6-chlorohexyl chloroacetate

• 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	-561.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.24	kJ/mol	Joback Calculated Property
ΔvapH°	64.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	155.500	ml/mol	McGowan Calculated Property
Inp	[1436.00; 1470.00]
Inp	1436.00		NIST
Inp	1455.00		NIST
Inp	1464.00		NIST
Inp	1465.00		NIST
Inp	1470.00		NIST
I	[2211.00; 2232.00]
I	2211.00		NIST
I	2226.00		NIST
I	2232.00		NIST
I	2211.00		NIST
Tboil	523.51	K	Relay (1.0) Calculated Property
Tfus	268.14	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	[330.52; 392.52]	J/mol×K	[515.72; 699.01]
Cp,gas	330.52	J/mol×K	515.72	Joback Calculated Property
Cp,gas	342.15	J/mol×K	546.27	Joback Calculated Property
Cp,gas	353.25	J/mol×K	576.82	Joback Calculated Property
Cp,gas	363.83	J/mol×K	607.36	Joback Calculated Property
Cp,gas	373.90	J/mol×K	637.91	Joback Calculated Property
Cp,gas	383.46	J/mol×K	668.46	Joback Calculated Property
Cp,gas	392.52	J/mol×K	699.01	Joback Calculated Property
η	[0.0002377; 0.0042528]	Pa×s	[282.09; 515.72]
η	0.0042528	Pa×s	282.09	Joback Calculated Property
η	0.0019646	Pa×s	321.03	Joback Calculated Property
η	0.0010726	Pa×s	359.97	Joback Calculated Property
η	0.0006591	Pa×s	398.91	Joback Calculated Property
η	0.0004416	Pa×s	437.84	Joback Calculated Property
η	0.0003159	Pa×s	476.78	Joback Calculated Property
η	0.0002377	Pa×s	515.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 6-chlorohexyl 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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