Chemical Properties of 2,4,5-T Isopropyl ester (CAS 93-78-7)

InChI

InChI=1S/C11H11Cl3O3/c1-6(2)17-11(15)5-16-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3

InChI Key

SXHQLHGHMREHMX-UHFFFAOYSA-N

Formula

C11H11Cl3O3

SMILES

CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

297.56

CAS

93-78-7

Other Names

• Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylethyl ester
• Acetic acid, (2,4,5-trichlorophenoxy)-, isopropyl ester
• Isopropyl (2,4,5-trichlorophenoxy)acetate
• Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methyl ester
• Acetic acid,(2,4,5-trichloropheoxy)-, isopropyl ester

• 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°	-251.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.77	kJ/mol	Joback Calculated Property
ΔfusH°	30.16	kJ/mol	Joback Calculated Property
ΔvapH°	68.67	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.977		Crippen Calculated Property
McVol	192.120	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[1825.00; 1825.00]
Inp	1825.00		NIST
Inp	1825.00		NIST
Tboil	703.26	K	Joback Calculated Property
Tc	927.66	K	Joback Calculated Property
Tfus	446.86	K	Joback Calculated Property
Vc	0.727	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[443.25; 498.78]	J/mol×K	[703.26; 927.66]
Cp,gas	443.25	J/mol×K	703.26	Joback Calculated Property
Cp,gas	454.46	J/mol×K	740.66	Joback Calculated Property
Cp,gas	464.90	J/mol×K	778.06	Joback Calculated Property
Cp,gas	474.56	J/mol×K	815.46	Joback Calculated Property
Cp,gas	483.43	J/mol×K	852.86	Joback Calculated Property
Cp,gas	491.50	J/mol×K	890.26	Joback Calculated Property
Cp,gas	498.78	J/mol×K	927.66	Joback Calculated Property
η	[0.0001172; 0.0007459]	Pa×s	[446.86; 703.26]
η	0.0007459	Pa×s	446.86	Joback Calculated Property
η	0.0004789	Pa×s	489.59	Joback Calculated Property
η	0.0003302	Pa×s	532.33	Joback Calculated Property
η	0.0002406	Pa×s	575.06	Joback Calculated Property
η	0.0001831	Pa×s	617.79	Joback Calculated Property
η	0.0001444	Pa×s	660.53	Joback Calculated Property
η	0.0001172	Pa×s	703.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-T Isopropyl ester.

Sources

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

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