Chemical Properties of Phenol, 2,6-dichloro-, acetate (CAS 28165-71-1)

InChI

InChI=1S/C8H6Cl2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChI Key

YNSMUWSJRXDNLN-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

CC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

205.04

CAS

28165-71-1

Other Names

• 2,6-Dichlorophenyl acetate
• Acetic acid, 2,6-dichlorophenyl ester
• 2,6-Dichlorophenol, acetate

• 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	-327.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.50	kJ/mol	Joback Calculated Property
ΔvapH°	66.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.68 ± 0.03	eV	NIST
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	131.740	ml/mol	McGowan Calculated Property
Inp	[1296.00; 1342.00]
Inp	1296.00		NIST
Inp	1330.00		NIST
Inp	1296.00		NIST
Inp	1330.00		NIST
Inp	1342.00		NIST
I	[1971.00; 1971.00]
I	1971.00		NIST
I	1971.00		NIST
Tboil	489.03	K	Relay (1.0) Calculated Property
Tfus	309.10	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	[257.09; 305.85]	J/mol×K	[552.36; 781.59]
Cp,gas	257.09	J/mol×K	552.36	Joback Calculated Property
Cp,gas	266.79	J/mol×K	590.56	Joback Calculated Property
Cp,gas	275.84	J/mol×K	628.77	Joback Calculated Property
Cp,gas	284.27	J/mol×K	666.97	Joback Calculated Property
Cp,gas	292.08	J/mol×K	705.18	Joback Calculated Property
Cp,gas	299.27	J/mol×K	743.38	Joback Calculated Property
Cp,gas	305.85	J/mol×K	781.59	Joback Calculated Property
η	[0.0002171; 0.0016880]	Pa×s	[333.55; 552.36]
η	0.0016880	Pa×s	333.55	Joback Calculated Property
η	0.0010133	Pa×s	370.02	Joback Calculated Property
η	0.0006667	Pa×s	406.49	Joback Calculated Property
η	0.0004699	Pa×s	442.96	Joback Calculated Property
η	0.0003493	Pa×s	479.42	Joback Calculated Property
η	0.0002708	Pa×s	515.89	Joback Calculated Property
η	0.0002171	Pa×s	552.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-dichloro-, 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.
These property values are available through the Cheméo API. A free account gives you an access key.