Chemical Properties of Phenol, 4-chloro-3-methyl-, acetate (CAS 54963-43-8)

InChI

InChI=1S/C9H9ClO2/c1-6-5-8(12-7(2)11)3-4-9(6)10/h3-5H,1-2H3

InChI Key

LKKDOFSIQKPJLX-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

CC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

184.62

CAS

54963-43-8

Other Names

• 4-Chloro-3-methylphenol, O-acetyl-
• 4-Chloro-3-methylphenyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-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
ΔfG°	-127.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-276.04	kJ/mol	Joback Calculated Property
ΔfusH°	19.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.77	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.574		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3184.73	kPa	Joback Calculated Property
Inp	[1315.00; 1349.00]
Inp	1349.00		NIST
Inp	1315.00		NIST
Tboil	555.68	K	Joback Calculated Property
Tc	778.87	K	Joback Calculated Property
Tfus	344.73	K	Joback Calculated Property
Vc	0.504	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.08; 338.26]	J/mol×K	[555.68; 778.87]
Cp,gas	280.08	J/mol×K	555.68	Joback Calculated Property
Cp,gas	291.31	J/mol×K	592.88	Joback Calculated Property
Cp,gas	301.92	J/mol×K	630.08	Joback Calculated Property
Cp,gas	311.91	J/mol×K	667.27	Joback Calculated Property
Cp,gas	321.30	J/mol×K	704.47	Joback Calculated Property
Cp,gas	330.08	J/mol×K	741.67	Joback Calculated Property
Cp,gas	338.26	J/mol×K	778.87	Joback Calculated Property
η	[0.0002223; 0.0013360]	Pa×s	[344.73; 555.68]
η	0.0013360	Pa×s	344.73	Joback Calculated Property
η	0.0008629	Pa×s	379.89	Joback Calculated Property
η	0.0006002	Pa×s	415.05	Joback Calculated Property
η	0.0004418	Pa×s	450.20	Joback Calculated Property
η	0.0003399	Pa×s	485.36	Joback Calculated Property
η	0.0002710	Pa×s	520.52	Joback Calculated Property
η	0.0002223	Pa×s	555.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-chloro-3-methyl-, acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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