Chemical Properties of 2-chlorohexyl chloroacetate

InChI

InChI=1S/C8H14Cl2O2/c1-2-3-4-7(10)6-12-8(11)5-9/h7H,2-6H2,1H3

InChI Key

HIIFTDLKDIRLAT-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

CCCCC(Cl)COC(=O)CCl

Molecular Weight¹

213.10

Other Names

• 1-Hexanol, 2-chloro, 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	-566.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.72	kJ/mol	Joback Calculated Property
ΔvapH°	60.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	2.566		Crippen Calculated Property
McVol	155.500	ml/mol	McGowan Calculated Property
Inp	[1319.00; 1344.00]
Inp	1319.00		NIST
Inp	1337.00		NIST
Inp	1344.00		NIST
Inp	1344.00		NIST
Inp	1344.00		NIST
Inp	1319.00		NIST
I	[1982.00; 1987.00]
I	1982.00		NIST
I	1987.00		NIST
I	1982.00		NIST
I	1982.00		NIST
Tboil	512.01	K	Relay (1.0) Calculated Property
Tfus	236.60	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	[330.79; 394.21]	J/mol×K	[515.28; 702.37]
Cp,gas	330.79	J/mol×K	515.28	Joback Calculated Property
Cp,gas	342.74	J/mol×K	546.46	Joback Calculated Property
Cp,gas	354.12	J/mol×K	577.64	Joback Calculated Property
Cp,gas	364.95	J/mol×K	608.82	Joback Calculated Property
Cp,gas	375.24	J/mol×K	640.01	Joback Calculated Property
Cp,gas	384.99	J/mol×K	671.19	Joback Calculated Property
Cp,gas	394.21	J/mol×K	702.37	Joback Calculated Property
η	[0.0002244; 0.0061273]	Pa×s	[267.09; 515.28]
η	0.0061273	Pa×s	267.09	Joback Calculated Property
η	0.0024399	Pa×s	308.45	Joback Calculated Property
η	0.0012080	Pa×s	349.82	Joback Calculated Property
η	0.0006939	Pa×s	391.18	Joback Calculated Property
η	0.0004432	Pa×s	432.55	Joback Calculated Property
η	0.0003061	Pa×s	473.91	Joback Calculated Property
η	0.0002244	Pa×s	515.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chlorohexyl chloroacetate.

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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