Chemical Properties of Butanoic acid, 4-(2,4,5-trichlorophenoxy)-, methyl ester (CAS 25333-21-5)

InChI

InChI=1S/C11H11Cl3O3/c1-16-11(15)3-2-4-17-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3

InChI Key

OTBMAATXBNOQHO-UHFFFAOYSA-N

Formula

C11H11Cl3O3

SMILES

COC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

297.56

CAS

25333-21-5

Other Names

• Butyric acid, 4-(2,4,5-trichlorophenoxy)-, methyl ester
• Methyl 4-(2,4,5-trichlorophenoxy)butyrate
• 4-(2,4,5-Trichlorophenoxy)butyric acid methyl ester
• Methyl 4-(2,4,5-trichlorophenoxy)butanoate
• 2,4,5-TB methyl ester
• 4-(2,4,5-TB) methyl ester

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ω	0.6936		Relay (... Calculated Property
ΔfG°	-249.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-554.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	91.92	kJ/mol	Relay (... Calculated Property
IE	8.37	eV	Relay (... Calculated Property
log10WS	-4.54		Relay (... Calculated Property
logPoct/wat	3.979		Crippen Calculated Property
McVol	192.120	ml/mol	McGowan Calculated Property
Pc	2333.78	kPa	Joback Calculated Property
Inp	[1955.00; 1955.00]
Inp	1955.00		NIST
Inp	1955.00		NIST
Inp	1955.00		NIST
I	[2720.00; 2720.00]
I	2720.00		NIST
I	2720.00		NIST
I	2720.00		NIST
Tboil	584.06	K	Relay (... Calculated Property
Tc	826.39	K	Relay (... Calculated Property
Tfus	340.09	K	Relay (... Calculated Property
Vc	0.699	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.67; 497.44]	J/mol×K	[703.70; 924.00]
Cp,gas	442.67	J/mol×K	703.70	Joback Calculated Property
Cp,gas	453.65	J/mol×K	740.42	Joback Calculated Property
Cp,gas	463.90	J/mol×K	777.13	Joback Calculated Property
Cp,gas	473.41	J/mol×K	813.85	Joback Calculated Property
Cp,gas	482.17	J/mol×K	850.57	Joback Calculated Property
Cp,gas	490.19	J/mol×K	887.28	Joback Calculated Property
Cp,gas	497.44	J/mol×K	924.00	Joback Calculated Property
η	[0.0001268; 0.0006663]	Pa×s	[461.86; 703.70]
η	0.0006663	Pa×s	461.86	Joback Calculated Property
η	0.0004523	Pa×s	502.17	Joback Calculated Property
η	0.0003251	Pa×s	542.47	Joback Calculated Property
η	0.0002447	Pa×s	582.78	Joback Calculated Property
η	0.0001910	Pa×s	623.09	Joback Calculated Property
η	0.0001537	Pa×s	663.39	Joback Calculated Property
η	0.0001268	Pa×s	703.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-(2,4,5-trichlorophenoxy)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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