Chemical Properties of 3-chlorooctyl chloroacetate

InChI

InChI=1S/C10H18Cl2O2/c1-2-3-4-5-9(12)6-7-14-10(13)8-11/h9H,2-8H2,1H3

InChI Key

WNSBAEYXMYMOSK-UHFFFAOYSA-N

Formula

C10H18Cl2O2

SMILES

CCCCCC(Cl)CCOC(=O)CCl

Molecular Weight¹

241.16

Other Names

• 1-Octanol, 3-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_c : Critical 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	-606.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	67.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.346		Crippen Calculated Property
McVol	183.680	ml/mol	McGowan Calculated Property
Inp	[1551.00; 1559.00]
Inp	1554.00		NIST
Inp	1558.00		NIST
Inp	1559.00		NIST
Inp	1551.00		NIST
I	[2221.00; 2239.00]
I	2221.00		NIST
I	2231.00		NIST
I	2239.00		NIST
I	2221.00		NIST
Tboil	539.96	K	Relay (1.0) Calculated Property
Tc	736.68	K	Relay (1.0) Calculated Property
Tfus	252.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[422.86; 494.86]	J/mol×K	[561.04; 744.08]
Cp,gas	422.86	J/mol×K	561.04	Joback Calculated Property
Cp,gas	436.45	J/mol×K	591.55	Joback Calculated Property
Cp,gas	449.38	J/mol×K	622.05	Joback Calculated Property
Cp,gas	461.68	J/mol×K	652.56	Joback Calculated Property
Cp,gas	473.35	J/mol×K	683.07	Joback Calculated Property
Cp,gas	484.40	J/mol×K	713.57	Joback Calculated Property
Cp,gas	494.86	J/mol×K	744.08	Joback Calculated Property
η	[0.0001785; 0.0052294]	Pa×s	[289.63; 561.04]
η	0.0052294	Pa×s	289.63	Joback Calculated Property
η	0.0020363	Pa×s	334.87	Joback Calculated Property
η	0.0009925	Pa×s	380.10	Joback Calculated Property
η	0.0005636	Pa×s	425.33	Joback Calculated Property
η	0.0003569	Pa×s	470.57	Joback Calculated Property
η	0.0002448	Pa×s	515.80	Joback Calculated Property
η	0.0001785	Pa×s	561.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-chlorooctyl 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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