Chemical Properties of 2,4-D (CAS 94-75-7)

InChI

InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChI Key

OVSKIKFHRZPJSS-UHFFFAOYSA-N

Formula

C8H6Cl2O3

SMILES

O=C(O)COc1ccc(Cl)cc1Cl

Molecular Weight¹

221.04

CAS

94-75-7

Other Names

• (2,4-Dichloor-fenoxy)-azijnzuur
• (2,4-Dichlor-phenoxy)-essigsaeure
• (2,4-Dichlorophenoxy)acetic acid
• (2,4-Dichlorophenyloxy)acetic acid
• (2,4-Dichlorphenoxy)acetic acid
• (Dichlorophenoxy)acetic acid
• 2,4-D Mecoprop
• 2,4-D acid
• 2,4-Dwuchlorofenoksyoctowy kwas
• 2,4-dichlorophenoxyacetic acid
• 2,4-dichlorophenoxyethanoic acid
• 94-75-7
• Acide 2,4-dichloro phenoxyacetique
• Acido(2,4-dicloro-fenossi)-acetico
• Acme LV 4
• Acme amine 4
• Acme butyl ester 4
• Aminopielik 50SL
• Amoxone
• Atlas D
• B-Selektonon
• BH 2,4-D
• Barrage HF
• Brush-rhap
• Chipco turf herbicide "D"
• Chloroxone
• Crop rider
• Crotilin
• D 50
• DMA-4
• Debroussaillant 600
• Ded-Weed LV-69
• Desormone
• Dezormon
• Diclordon
• Dicopur
• Dicotox
• Dinoxol
• Dormone
• ENT 8,538
• Emulsamine E-3
• Emulsamine bk
• Envert 171
• Envert dt
• Esteron 44 weed killer
• Esteron 76 BE
• Esteron 99
• Esteron 99 concentrate
• Esteron brush killer
• Esterone
• Esterone four
• Estone
• Farmco
• Fernesta
• Fernoxone
• Foredex 75
• Formula 40
• Hedonal
• Hedonal, herbicide
• Herbidal
• Huragan
• Ipaner
• Kwas 2,4-dwuchlorofenoksyoctowy
• Kwasu 2,4-dwuchlorofenoksyoctowego
• Kyselina 2,4-dichlorfenoxyoctova
• Lawn-keep
• Macrondray
• Miracle
• Monosan
• Mota Maskros
• Moxone
• NSC 423
• Netagrone
• Netagrone 600
• Pennamine
• Pennamine D
• Pielik
• Planotox
• Plantgard
• RCRA waste number U240
• Rhodia
• Salvo
• Spritz-hormin/2,4-D
• Spritz-hormit/2,4-D
• Super D weedone
• Superormone concentre
• Tiller S
• Transamine
• Tributon
• Trinoxol
• U 46
• U 46DP
• U-5043
• Uniso
• Vergemaster
• Verton 2D
• Verton D
• Vertron 2D
• Vidon 638
• Visko-rhap
• Visko-rhap low drift herbicides
• Visko-rhap low volatile 4l
• Weed tox
• Weed-B-gon
• Weed-Rhap
• Weed-ag-bar
• Weedar
• Weedar-64
• Weedatul
• Weedez wonder bar
• Weedone LV4
• Weedtrol
• acetic acid, (2,4-dichlorophenoxy)-
• agrotect
• amidox
• dacamine
• decamine
• dichlorophenoxyacetic acid
• esteron
• ethanoic acid, 2,4-dichlorophenoxy-
• fernimine
• ferxone
• phenox
• verton
• weedone

• 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).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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°	29.46	kJ/mol	Joback Calculated Property
ΔsubH°	[115.00; 125.00]	kJ/mol
ΔsubH°	115.00 ± 6.00	kJ/mol	NIST
ΔsubH°	125.00 ± 3.00	kJ/mol	NIST
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Aq. Solubility Prediction
logPoct/wat	2.457		Crippen Calculated Property
McVol	137.610	ml/mol	McGowan Calculated Property
Inp	1702.00		NIST
Tboil	567.86	K	Relay (1.0) Calculated Property
Tfus	[411.98; 414.50]	K
Tfus	414.50	K	Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
Tfus	411.98	K	Aq. Solubility Prediction
Tfus	412.65 ± 0.20	K	NIST
Tfus	412.80 ± 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.13; 341.32]	J/mol×K	[662.07; 896.08]
Cp,gas	300.13	J/mol×K	662.07	Joback Calculated Property
Cp,gas	308.49	J/mol×K	701.07	Joback Calculated Property
Cp,gas	316.22	J/mol×K	740.07	Joback Calculated Property
Cp,gas	323.36	J/mol×K	779.07	Joback Calculated Property
Cp,gas	329.91	J/mol×K	818.07	Joback Calculated Property
Cp,gas	335.89	J/mol×K	857.08	Joback Calculated Property
Cp,gas	341.32	J/mol×K	896.08	Joback Calculated Property
η	[0.0001843; 0.0007002]	Pa×s	[474.05; 662.07]
η	0.0007002	Pa×s	474.05	Joback Calculated Property
η	0.0005232	Pa×s	505.39	Joback Calculated Property
η	0.0004044	Pa×s	536.72	Joback Calculated Property
η	0.0003217	Pa×s	568.06	Joback Calculated Property
η	0.0002620	Pa×s	599.40	Joback Calculated Property
η	0.0002178	Pa×s	630.73	Joback Calculated Property
η	0.0001843	Pa×s	662.07	Joback Calculated Property
ΔfusH	[32.00; 35.33]	kJ/mol	[412.50; 416.20]
ΔfusH	35.33	kJ/mol	412.50	NIST
ΔfusH	32.00	kJ/mol	416.20	NIST
ΔsubH	123.00 ± 2.00	kJ/mol	366.50	NIST

Similar Compounds

Find more compounds similar to 2,4-D.

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
• Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
• 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.
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