Chemical Properties of Phenol, 2,3,4,5-tetrachloro-, acetate (CAS 4901-57-9)

InChI

InChI=1S/C8H4Cl4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3

InChI Key

QHRJCQOAJGBWRV-UHFFFAOYSA-N

Formula

C8H4Cl4O2

SMILES

CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

273.93

CAS

4901-57-9

Other Names

• Acetic acid, 2,3,4,5-tetrachlorophenyl ester

• 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).
• 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	-379.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.12	kJ/mol	Joback Calculated Property
ΔvapH°	81.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	4.226		Crippen Calculated Property
McVol	156.220	ml/mol	McGowan Calculated Property
Inp	[1679.00; 1694.00]
Inp	1679.00		NIST
Inp	1679.00		NIST
Inp	1694.00		NIST
I	[2233.00; 2233.00]
I	2233.00		NIST
I	2233.00		NIST
Tboil	570.96	K	Relay (1.0) Calculated Property
Tfus	342.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[294.62; 331.75]	J/mol×K	[637.18; 875.68]
Cp,gas	294.62	J/mol×K	637.18	Joback Calculated Property
Cp,gas	302.28	J/mol×K	676.93	Joback Calculated Property
Cp,gas	309.35	J/mol×K	716.68	Joback Calculated Property
Cp,gas	315.84	J/mol×K	756.43	Joback Calculated Property
Cp,gas	321.74	J/mol×K	796.18	Joback Calculated Property
Cp,gas	327.05	J/mol×K	835.93	Joback Calculated Property
Cp,gas	331.75	J/mol×K	875.68	Joback Calculated Property
η	[0.0001869; 0.0009387]	Pa×s	[418.43; 637.18]
η	0.0009387	Pa×s	418.43	Joback Calculated Property
η	0.0006440	Pa×s	454.89	Joback Calculated Property
η	0.0004673	Pa×s	491.35	Joback Calculated Property
η	0.0003544	Pa×s	527.81	Joback Calculated Property
η	0.0002785	Pa×s	564.26	Joback Calculated Property
η	0.0002254	Pa×s	600.72	Joback Calculated Property
η	0.0001869	Pa×s	637.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,3,4,5-tetrachloro-, 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.
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