Chemical Properties of [(4-Chloro-o-tolyl)oxy]acetic acid (CAS 94-74-6)

InChI

InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChI Key

WHKUVVPPKQRRBV-UHFFFAOYSA-N

Formula

C9H9ClO3

SMILES

Cc1cc(Cl)ccc1OCC(=O)O

Molecular Weight¹

200.62

CAS

94-74-6

Other Names

• (2-Methyl-4-chlorophenoxy)acetic acid
• (4-Chloro-2-methylphenoxy)acetic acid
• (4-Chloro-o-cresoxy)acetic acid
• (4-Chloro-o-toloxy)acetic acid
• 2,4-MCPA
• 2-(4-Chloro-2-methylphenoxy)acetic acid
• 2-Methyl-4-chlorphenoxyessigsaeure
• 2M-4C
• 2M-4Ch
• 2M-4Kh
• 4K-2M
• Acetic acid, (4-chloro-2-methylphenoxy)-
• Acetic acid, (4-chloro-o-toloxy)-
• Acetic acid, 2-(4-chloro-2-methylphenoxy)-
• Acetic acid, [(4-chloro-o-tolyl)oxy]-
• Acme MCPA amine 4
• Agricorn 500 II
• Agritox
• Agritox 50
• Agroxon
• Agroxone
• Albar-M
• Anicon M
• Anicon kombi
• Atlas MCPA
• B-Selektonon M
• BH MCPA
• Bordermaster
• Brominal M & plus
• Campbell's MCPA 25, 50
• Cekherbex
• Chiptox
• Chwastox 30
• Cornox-M
• Dicopur-M
• Dicotex
• Dikotes
• Dikotex
• Dow MCP amine weed killer
• Emcepan
• Empal
• Hedapur M 52
• Hedarex M
• Hedonal M
• Herbicide M
• Hormoneste
• Hormotuho
• Hornotuho
• Kilsem
• Kilsem4k-2m
• Krezone
• Kwas 4-chloro-2-metylofenoksyoctowy
• Kyselina 4-chlor-2-methylfenoxyoctova
• Legumex DB
• Leuna M
• Leyspray
• Linormone
• M 40
• MCP
• MCPA
• Mecaphar
• Mephanac
• Metaxon
• Methoxone
• Methyl chlorophenoxy acetic acid
• Netazol
• Okultin M
• Phenoxylene 50
• Phenoxylene plus
• Phenoxylene super
• Raphone
• Razol dock killer
• Rhomenc
• Rhomene
• Rhonox
• Selektonon M
• Seppic MMD
• Shamrox
• Soviet technical herbicide 2M-4C
• Trasan
• U 46 M-FLUID
• Ustinex
• Vacate
• Verdone
• Vesakontuho MCPA
• Weed-rhap
• Weedar MCPA
• Weedar mcpa concentrate
• Weedone mcpa ester
• Zelan

• 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).
• 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°	27.86	kJ/mol	Joback Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-2.23		Aq. Solubility Prediction
logPoct/wat	2.112		Crippen Calculated Property
McVol	139.460	ml/mol	McGowan Calculated Property
Tboil	573.96	K	Relay (1.0) Calculated Property
Tfus	[392.70; 393.44]	K
Tfus	393.44 ± 0.20	K	NIST
Tfus	392.70 ± 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	[186.68; 396.59]	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			3.23910e+01
Coefficient B			6.55320e-01
Coefficient C			-3.44920e-04
Coefficient D			5.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.68	J/mol×K	273.00	Calculated Property
Cp,gas	223.44	J/mol×K	353.78	Calculated Property
Cp,gas	256.44	J/mol×K	434.56	Calculated Property
Cp,gas	285.86	J/mol×K	515.33	Calculated Property
Cp,gas	311.86	J/mol×K	596.11	Calculated Property
Cp,gas	334.62	J/mol×K	676.89	Calculated Property
Cp,gas	354.30	J/mol×K	757.67	Calculated Property
Cp,gas	371.08	J/mol×K	838.44	Calculated Property
Cp,gas	385.12	J/mol×K	919.22	Calculated Property
Cp,gas	396.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015126; 0.0002138]	Pa×s	[393.07; 611.82]	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			-1.19666e+01
Coefficient B			2.15113e+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.			393.07
Temperature range, max.			611.82
η	0.0015126	Pa×s	393.07	Calculated Property
η	0.0010998	Pa×s	417.38	Calculated Property
η	0.0008282	Pa×s	441.68	Calculated Property
η	0.0006424	Pa×s	465.99	Calculated Property
η	0.0005110	Pa×s	490.29	Calculated Property
η	0.0004154	Pa×s	514.60	Calculated Property
η	0.0003440	Pa×s	538.90	Calculated Property
η	0.0002896	Pa×s	563.21	Calculated Property
η	0.0002472	Pa×s	587.51	Calculated Property
η	0.0002138	Pa×s	611.82	Calculated Property

Similar Compounds

Find more compounds similar to [(4-Chloro-o-tolyl)oxy]acetic acid.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.