Chemical Properties of 4-chlorooctyl dichloroacetate

InChI

InChI=1S/C10H17Cl3O2/c1-2-3-5-8(11)6-4-7-15-10(14)9(12)13/h8-9H,2-7H2,1H3

InChI Key

NWNUESXRIVWVJH-UHFFFAOYSA-N

Formula

C10H17Cl3O2

SMILES

CCCCC(Cl)CCCOC(=O)C(Cl)Cl

Molecular Weight¹

275.60

Other Names

• 1-Octanol, 4-chloro, dichloroacetate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6276		Relay (1.0) Calculated Property
ΔfH°gas	-622.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.57	kJ/mol	Joback Calculated Property
ΔvapH°	72.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	3.911		Crippen Calculated Property
McVol	195.920	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[1641.00; 1665.00]
Inp	1641.00		NIST
Inp	1648.00		NIST
Inp	1657.00		NIST
Inp	1665.00		NIST
I	[2311.00; 2338.00]
I	2311.00		NIST
I	2328.00		NIST
I	2338.00		NIST
I	2311.00		NIST
Tboil	543.32	K	Relay (1.0) Calculated Property
Tc	747.55	K	Relay (1.0) Calculated Property
Tfus	265.83	K	Relay (1.0) Calculated Property
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.43; 519.90]	J/mol×K	[598.03; 789.01]
Cp,gas	451.43	J/mol×K	598.03	Joback Calculated Property
Cp,gas	464.56	J/mol×K	629.86	Joback Calculated Property
Cp,gas	476.98	J/mol×K	661.69	Joback Calculated Property
Cp,gas	488.71	J/mol×K	693.52	Joback Calculated Property
Cp,gas	499.76	J/mol×K	725.35	Joback Calculated Property
Cp,gas	510.15	J/mol×K	757.18	Joback Calculated Property
Cp,gas	519.90	J/mol×K	789.01	Joback Calculated Property
η	[0.0001509; 0.0054984]	Pa×s	[304.55; 598.03]
η	0.0054984	Pa×s	304.55	Joback Calculated Property
η	0.0019948	Pa×s	353.46	Joback Calculated Property
η	0.0009260	Pa×s	402.38	Joback Calculated Property
η	0.0005077	Pa×s	451.29	Joback Calculated Property
η	0.0003131	Pa×s	500.20	Joback Calculated Property
η	0.0002104	Pa×s	549.12	Joback Calculated Property
η	0.0001509	Pa×s	598.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-chlorooctyl dichloroacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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