Chemical Properties of Propanoic acid, 2-(2,4,5-trichlorophenoxy)-, butyl ester (CAS 13557-98-7)

InChI

InChI=1S/C13H15Cl3O3/c1-3-4-5-18-13(17)8(2)19-12-7-10(15)9(14)6-11(12)16/h6-8H,3-5H2,1-2H3

InChI Key

VPXVRVAKKVBOLA-UHFFFAOYSA-N

Formula

C13H15Cl3O3

SMILES

CCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

325.62

CAS

13557-98-7

Other Names

• n-Butyl ester of alpha-(2,4,5-trichlorophenoxy)propionic acid
• 2,4,5-TP, butyl ester
• Fenoprop, butyl ester
• butyl 2-(2,4,5-trichlorophenoxy)propionate

• 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.
• 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	0.7061		Relay (1.0) Calculated Property
ΔfG°	-235.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.34	kJ/mol	Joback Calculated Property
ΔvapH°	87.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.757		Crippen Calculated Property
McVol	220.300	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[2035.00; 2035.00]
Inp	2035.00		NIST
Inp	2035.00		NIST
Tboil	577.02	K	Relay (1.0) Calculated Property
Tc	817.85	K	Relay (1.0) Calculated Property
Tfus	328.51	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.32; 607.15]	J/mol×K	[749.02; 966.49]
Cp,gas	546.32	J/mol×K	749.02	Joback Calculated Property
Cp,gas	558.64	J/mol×K	785.27	Joback Calculated Property
Cp,gas	570.08	J/mol×K	821.51	Joback Calculated Property
Cp,gas	580.66	J/mol×K	857.76	Joback Calculated Property
Cp,gas	590.36	J/mol×K	894.00	Joback Calculated Property
Cp,gas	599.19	J/mol×K	930.25	Joback Calculated Property
Cp,gas	607.15	J/mol×K	966.49	Joback Calculated Property
η	[0.0000910; 0.0006417]	Pa×s	[469.40; 749.02]
η	0.0006417	Pa×s	469.40	Joback Calculated Property
η	0.0004000	Pa×s	516.00	Joback Calculated Property
η	0.0002697	Pa×s	562.61	Joback Calculated Property
η	0.0001931	Pa×s	609.21	Joback Calculated Property
η	0.0001450	Pa×s	655.81	Joback Calculated Property
η	0.0001131	Pa×s	702.42	Joback Calculated Property
η	0.0000910	Pa×s	749.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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