Chemical Properties of 8-chlorooctyl dichloroacetate

InChI

InChI=1S/C10H17Cl3O2/c11-7-5-3-1-2-4-6-8-15-10(14)9(12)13/h9H,1-8H2

InChI Key

FDJHTHGSNGTWSO-UHFFFAOYSA-N

Formula

C10H17Cl3O2

SMILES

O=C(OCCCCCCCCCl)C(Cl)Cl

Molecular Weight¹

275.60

Other Names

• 1-Octanol, 8-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	-610.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.09	kJ/mol	Joback Calculated Property
ΔvapH°	78.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	3.913		Crippen Calculated Property
McVol	195.920	ml/mol	McGowan Calculated Property
Inp	[1736.00; 1774.00]
Inp	1736.00		NIST
Inp	1774.00		NIST
Inp	1754.00		NIST
Inp	1761.00		NIST
Inp	1736.00		NIST
I	[2470.00; 2506.00]
I	2470.00		NIST
I	2491.00		NIST
I	2506.00		NIST
I	2470.00		NIST
Tboil	545.62	K	Relay (1.0) Calculated Property
Tfus	282.44	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	[451.01; 518.24]	J/mol×K	[598.47; 785.97]
Cp,gas	451.01	J/mol×K	598.47	Joback Calculated Property
Cp,gas	463.85	J/mol×K	629.72	Joback Calculated Property
Cp,gas	476.01	J/mol×K	660.97	Joback Calculated Property
Cp,gas	487.52	J/mol×K	692.22	Joback Calculated Property
Cp,gas	498.39	J/mol×K	723.47	Joback Calculated Property
Cp,gas	508.62	J/mol×K	754.72	Joback Calculated Property
Cp,gas	518.24	J/mol×K	785.97	Joback Calculated Property
η	[0.0001615; 0.0039598]	Pa×s	[319.55; 598.47]
η	0.0039598	Pa×s	319.55	Joback Calculated Property
η	0.0016560	Pa×s	366.04	Joback Calculated Property
η	0.0008429	Pa×s	412.52	Joback Calculated Property
η	0.0004919	Pa×s	459.01	Joback Calculated Property
η	0.0003170	Pa×s	505.50	Joback Calculated Property
η	0.0002199	Pa×s	551.98	Joback Calculated Property
η	0.0001615	Pa×s	598.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8-chlorooctyl 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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