Chemical Properties of 7-chlorooctyl dichloroacetate

InChI

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

InChI Key

WMRINDHNJPJHEX-UHFFFAOYSA-N

Formula

C10H17Cl3O2

SMILES

CC(Cl)CCCCCCOC(=O)C(Cl)Cl

Molecular Weight¹

275.60

Other Names

• 1-Octanol, 7-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	-630.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.57	kJ/mol	Joback Calculated Property
ΔvapH°	74.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	3.911		Crippen Calculated Property
McVol	195.920	ml/mol	McGowan Calculated Property
Inp	[1682.00; 1706.00]
Inp	1682.00		NIST
Inp	1689.00		NIST
Inp	1699.00		NIST
Inp	1706.00		NIST
Inp	1682.00		NIST
I	[2384.00; 2416.00]
I	2384.00		NIST
I	2404.00		NIST
I	2416.00		NIST
I	2384.00		NIST
Tboil	546.18	K	Relay (1.0) Calculated Property
Tfus	285.02	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	[451.43; 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 7-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

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.
These property values are available through the Cheméo API. A free account gives you an access key.