Chemical Properties of 1-(2,4,5-Trichlorophenyl)ethanol (CAS 14299-54-8)

InChI

InChI=1S/C8H7Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-4,12H,1H3

InChI Key

CZTWWYRPCFIOMY-UHFFFAOYSA-N

Formula

C8H7Cl3O

SMILES

CC(O)c1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

225.50

CAS

14299-54-8

• 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°	-75.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.06	kJ/mol	Joback Calculated Property
ΔfusH°	22.51	kJ/mol	Joback Calculated Property
ΔvapH°	67.11	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.700		Crippen Calculated Property
McVol	142.410	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Inp	[1543.00; 1563.00]
Inp	1543.00		NIST
Inp	1556.00		NIST
Inp	1563.00		NIST
Inp	1559.00		NIST
Tboil	628.09	K	Joback Calculated Property
Tc	846.04	K	Joback Calculated Property
Tfus	379.48	K	Joback Calculated Property
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.80; 328.71]	J/mol×K	[628.09; 846.04]
Cp,gas	287.80	J/mol×K	628.09	Joback Calculated Property
Cp,gas	295.83	J/mol×K	664.42	Joback Calculated Property
Cp,gas	303.35	J/mol×K	700.74	Joback Calculated Property
Cp,gas	310.38	J/mol×K	737.07	Joback Calculated Property
Cp,gas	316.94	J/mol×K	773.39	Joback Calculated Property
Cp,gas	323.04	J/mol×K	809.72	Joback Calculated Property
Cp,gas	328.71	J/mol×K	846.04	Joback Calculated Property
η	[0.0000785; 0.0022445]	Pa×s	[379.48; 628.09]
η	0.0022445	Pa×s	379.48	Joback Calculated Property
η	0.0009749	Pa×s	420.92	Joback Calculated Property
η	0.0004917	Pa×s	462.35	Joback Calculated Property
η	0.0002775	Pa×s	503.79	Joback Calculated Property
η	0.0001709	Pa×s	545.22	Joback Calculated Property
η	0.0001127	Pa×s	586.65	Joback Calculated Property
η	0.0000785	Pa×s	628.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,4,5-Trichlorophenyl)ethanol.

Sources

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

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