Chemical Properties of Mecoprop (CAS 7085-19-0)

InChI

InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)

InChI Key

WNTGYJSOUMFZEP-UHFFFAOYSA-N

Formula

C10H11ClO3

SMILES

Cc1cc(Cl)ccc1OC(C)C(=O)O

Molecular Weight¹

214.65

CAS

7085-19-0

Other Names

• (+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid
• (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid
• 2-(2'-Methyl-4'-chlorophenoxy)propionic acid
• 2-(2-Methyl-4-chlorophenoxy)propanoic acid
• 2-(2-Methyl-4-chlorophenoxy)propionic acid
• 2-(2-Methyl-4-chlorphenoxy)-propionsaeure
• 2-(4-Chloor-2-methyl-fenoxy)-propionzuur
• 2-(4-Chlor-2-methyl-phenoxy)-propionsaeure
• 2-(4-Chloro-2-methylphenoxy)propanoic acid
• 2-(4-Chloro-2-methylphenoxy)propionic acid
• 2-(4-Chloro-o-tolyloxy)propionic acid
• 2-(4-Chlorophenoxy-2-methyl)propionic acid
• 2-(p-Chloro-o-tolyloxy)propionic acid
• 2-MCPP
• 2M-4CP
• 2M4KhP
• Acide 2-(4-chloro-2-methyl-phenoxy)propionique
• Acido 2-(4-cloro-2-metil-fenossi)-propionico
• Anicon B
• CMPP
• Chipco turf herbicide mcpp
• Compitox
• Duplosan CMPP
• Duplosan new system CMPP
• FBC CMPP
• Isocarnox
• Kilprop
• Kwas 4-chloro-2-metylofenoksypropionowy
• Kyselina 2-(4-chlor-2-methylfenoxy)propionova
• Liranox
• MCPP
• Mechlorprop
• Mecomec
• Mecopar
• Mecopeop
• Mecoper
• Mecopex
• Mecoturf
• Mecprop
• Mepro
• Methoxone
• Morogal
• N.B. Mecoprop
• Okultin MP
• Propanoic acid, 2-(4-chloro-2-methylphenoxy)-
• Propionic acid, 2-(2-methyl-4-chlorophenoxy)-
• Propionic acid, 2-(4-chloro-2-methylphenoxy)
• Propionic acid, 2-[(4-chloro-o-tolyl)oxy]-
• Proponex-plus
• RD 4593
• Rankotex
• Runcatex
• U 46
• U 46 KV-fluid
• Vi-Par
• Vi-Pex
• iso-Cornox
• «alpha»-(2-Methyl-4-chlorophenoxy)propionic acid
• «alpha»-(4-Chloro-2-methylphenoxy)propionic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.92	kJ/mol	Joback Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Aq. Solubility Prediction
logPoct/wat	2.500		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Inp	[1740.00; 1740.00]
Inp	1740.00		NIST
Inp	1740.00		NIST
Tboil	558.66	K	Relay (1.0) Calculated Property
Tfus	[367.00; 367.65]	K
Tfus	367.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	367.65	K	Aq. Solubility Prediction
Tfus	367.30 ± 0.20	K	NIST
Tfus	367.00 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.58; 448.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.98000e+01
Coefficient B			7.56240e-01
Coefficient C			-4.02520e-04
Coefficient D			6.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.58	J/mol×K	273.00	Calculated Property
Cp,gas	249.85	J/mol×K	353.78	Calculated Property
Cp,gas	287.77	J/mol×K	434.56	Calculated Property
Cp,gas	321.54	J/mol×K	515.33	Calculated Property
Cp,gas	351.38	J/mol×K	596.11	Calculated Property
Cp,gas	377.49	J/mol×K	676.89	Calculated Property
Cp,gas	400.07	J/mol×K	757.67	Calculated Property
Cp,gas	419.33	J/mol×K	838.44	Calculated Property
Cp,gas	435.48	J/mol×K	919.22	Calculated Property
Cp,gas	448.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024351; 0.0001851]	Pa×s	[367.40; 627.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22320e+01
Coefficient B			2.28311e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			367.40
Temperature range, max.			627.71
η	0.0024351	Pa×s	367.40	Calculated Property
η	0.0015472	Pa×s	396.32	Calculated Property
η	0.0010457	Pa×s	425.25	Calculated Property
η	0.0007428	Pa×s	454.17	Calculated Property
η	0.0005498	Pa×s	483.10	Calculated Property
η	0.0004210	Pa×s	512.02	Calculated Property
η	0.0003317	Pa×s	540.94	Calculated Property
η	0.0002677	Pa×s	569.87	Calculated Property
η	0.0002206	Pa×s	598.79	Calculated Property
η	0.0001851	Pa×s	627.71	Calculated Property

Similar Compounds

Find more compounds similar to Mecoprop.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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