Chemical Properties of Chloroacetic acid, 8-chlorooctyl ester

InChI

InChI=1S/C10H18Cl2O2/c11-7-5-3-1-2-4-6-8-14-10(13)9-12/h1-9H2

InChI Key

FBWYWOXCNBCYJZ-UHFFFAOYSA-N

Formula

C10H18Cl2O2

SMILES

O=C(CCl)OCCCCCCCCCl

Molecular Weight¹

241.16

Other Names

• 1-Octanol, 8-chloro, chloroacetate
• 8-chlorooctyl 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	-604.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
ΔvapH°	73.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.17		Relay (1.0) Calculated Property
logPoct/wat	3.348		Crippen Calculated Property
McVol	183.680	ml/mol	McGowan Calculated Property
Inp	[1659.00; 1668.00]
Inp	1659.00		NIST
Inp	1663.00		NIST
Inp	1668.00		NIST
Inp	1663.00		NIST
Inp	1659.00		NIST
I	[2408.00; 2438.00]
I	2408.00		NIST
I	2425.00		NIST
I	2438.00		NIST
Tboil	547.32	K	Relay (1.0) Calculated Property
Tfus	283.66	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	[422.52; 493.13]	J/mol×K	[561.48; 741.12]
Cp,gas	422.52	J/mol×K	561.48	Joback Calculated Property
Cp,gas	435.79	J/mol×K	591.42	Joback Calculated Property
Cp,gas	448.45	J/mol×K	621.36	Joback Calculated Property
Cp,gas	460.50	J/mol×K	651.30	Joback Calculated Property
Cp,gas	471.96	J/mol×K	681.24	Joback Calculated Property
Cp,gas	482.83	J/mol×K	711.18	Joback Calculated Property
Cp,gas	493.13	J/mol×K	741.12	Joback Calculated Property
η	[0.0001902; 0.0037447]	Pa×s	[304.63; 561.48]
η	0.0037447	Pa×s	304.63	Joback Calculated Property
η	0.0016782	Pa×s	347.44	Joback Calculated Property
η	0.0008969	Pa×s	390.25	Joback Calculated Property
η	0.0005426	Pa×s	433.06	Joback Calculated Property
η	0.0003593	Pa×s	475.86	Joback Calculated Property
η	0.0002546	Pa×s	518.67	Joback Calculated Property
η	0.0001902	Pa×s	561.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 8-chlorooctyl 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

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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