Chemical Properties of 2,4,5-T Methyl ester (CAS 1928-37-6)

InChI

InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3

InChI Key

JUCNGUOYQGHBJC-UHFFFAOYSA-N

Formula

C9H7Cl3O3

SMILES

COC(=O)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

269.51

CAS

1928-37-6

Other Names

• 2,4,5-Trichlorophenoxyacetic acid methyl ester
• Acetic acid, (2,4,5-trichlorophenoxy)-, methyl ester
• Acetic acid, (2,4,5-trichlorophenoxy)-, methylated
• Methyl (2,4,5-trichlorophenoxy)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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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
ΔfG°	-266.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.21	kJ/mol	Joback Calculated Property
ΔfusH°	28.51	kJ/mol	Joback Calculated Property
ΔvapH°	64.61	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	3.199		Crippen Calculated Property
McVol	163.940	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[1728.00; 1740.00]
Inp	1736.00		NIST
Inp	1736.00		NIST
Inp	1740.00		NIST
Inp	1728.00		NIST
Inp	1740.00		NIST
Inp	1728.00		NIST
Inp	1736.00		NIST
Inp	1740.00		NIST
I	[2551.00; 2552.00]
I	2551.00		NIST
I	2552.00		NIST
I	2551.00		NIST
Tboil	657.94	K	Joback Calculated Property
Tc	886.25	K	Joback Calculated Property
Tfus	[363.10; 363.35]	K
Tfus	363.35 ± 0.20	K	NIST
Tfus	363.10 ± 0.20	K	NIST
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.09; 392.29]	J/mol×K	[657.94; 886.25]
Cp,gas	345.09	J/mol×K	657.94	Joback Calculated Property
Cp,gas	354.53	J/mol×K	695.99	Joback Calculated Property
Cp,gas	363.36	J/mol×K	734.04	Joback Calculated Property
Cp,gas	371.56	J/mol×K	772.10	Joback Calculated Property
Cp,gas	379.13	J/mol×K	810.15	Joback Calculated Property
Cp,gas	386.04	J/mol×K	848.20	Joback Calculated Property
Cp,gas	392.29	J/mol×K	886.25	Joback Calculated Property
η	[0.0001601; 0.0007498]	Pa×s	[439.32; 657.94]
η	0.0007498	Pa×s	439.32	Joback Calculated Property
η	0.0005253	Pa×s	475.76	Joback Calculated Property
η	0.0003871	Pa×s	512.19	Joback Calculated Property
η	0.0002970	Pa×s	548.63	Joback Calculated Property
η	0.0002356	Pa×s	585.07	Joback Calculated Property
η	0.0001920	Pa×s	621.50	Joback Calculated Property
η	0.0001601	Pa×s	657.94	Joback Calculated Property
ΔfusH	[30.46; 31.95]	kJ/mol	[360.60; 361.90]
ΔfusH	31.95	kJ/mol	360.60	NIST
ΔfusH	30.46	kJ/mol	361.90	NIST
ΔvapH	76.90	kJ/mol	508.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.83; 202.66]	kPa	[444.00; 645.43]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.21293e+01
Coefficient B			-3.07775e+03
Coefficient C			-1.94000e+02
Temperature range, min.			444.00
Temperature range, max.			645.43
Pvap	0.83	kPa	444.00	Calculated Property
Pvap	2.29	kPa	466.38	Calculated Property
Pvap	5.41	kPa	488.76	Calculated Property
Pvap	11.30	kPa	511.14	Calculated Property
Pvap	21.42	kPa	533.52	Calculated Property
Pvap	37.52	kPa	555.91	Calculated Property
Pvap	61.58	kPa	578.29	Calculated Property
Pvap	95.69	kPa	600.67	Calculated Property
Pvap	142.00	kPa	623.05	Calculated Property
Pvap	202.66	kPa	645.43	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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