Chemical Properties of PENTACHLOROPHENYL ACETATE

InChI

InChI=1S/C8H3Cl5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3

InChI Key

RRYATXLRCBOQTJ-UHFFFAOYSA-N

Formula

C8H3Cl5O2

SMILES

CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

308.38

Other Names

• 2,3,4,5,6-Pentachlorophenyl acetate
• CPA
• Pentachlorophenol, O-acetyl-
• Phenol, pentachloro-, acetate
• Rabcon

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.34	kJ/mol	Joback Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.81		Relay (1.0) Calculated Property
logPoct/wat	4.879		Crippen Calculated Property
McVol	168.460	ml/mol	McGowan Calculated Property
Inp	[1800.00; 1844.00]
Inp	1800.00		NIST
Inp	1808.00		NIST
Inp	1809.00		NIST
Inp	1844.00		NIST
Inp	1808.00		NIST
Inp	1800.00		NIST
Inp	1844.00		NIST
I	2401.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[310.58; 342.51]	J/mol×K	[697.46; 941.22]
Cp,gas	310.58	J/mol×K	697.46	Joback Calculated Property
Cp,gas	317.23	J/mol×K	738.09	Joback Calculated Property
Cp,gas	323.36	J/mol×K	778.71	Joback Calculated Property
Cp,gas	328.97	J/mol×K	819.34	Joback Calculated Property
Cp,gas	334.04	J/mol×K	859.97	Joback Calculated Property
Cp,gas	338.55	J/mol×K	900.59	Joback Calculated Property
Cp,gas	342.51	J/mol×K	941.22	Joback Calculated Property
η	[0.0001913; 0.0006662]	Pa×s	[490.70; 697.46]
η	0.0006662	Pa×s	490.70	Joback Calculated Property
η	0.0005054	Pa×s	525.16	Joback Calculated Property
η	0.0003967	Pa×s	559.62	Joback Calculated Property
η	0.0003202	Pa×s	594.08	Joback Calculated Property
η	0.0002646	Pa×s	628.54	Joback Calculated Property
η	0.0002231	Pa×s	663.00	Joback Calculated Property
η	0.0001913	Pa×s	697.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to PENTACHLOROPHENYL ACETATE.

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.