Chemical Properties of Dicamba (CAS 1918-00-9)

InChI

InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

InChI Key

IWEDIXLBFLAXBO-UHFFFAOYSA-N

Formula

C8H6Cl2O3

SMILES

COc1c(Cl)ccc(Cl)c1C(=O)O

Molecular Weight¹

221.04

CAS

1918-00-9

Other Names

• 2,5-Dichloro-6-methoxybenzoic acid
• 2-Methoxy-3,6-dichlorobenzoic acid
• 3,6-Dichloor-2-methoxy-benzoeizuur
• 3,6-Dichlor-3-methoxy-benzoesaeure
• 3,6-Dichloro-2-methoxybenzoic acid
• 3,6-Dichloro-o-anisic acid
• Acido (3,6-dicloro-2-metossi)-benzoico
• Banlen
• Banvel
• Banvel 480
• Banvel 70WP
• Banvel CST
• Banvel II herbicide
• Banvel SGF
• Banvel herbicide
• Benzoic acid, 3,6-dichloro-2-methoxy-
• Brush buster
• Compound B dicamba
• Dianat
• Dianate
• Kyselina 3,6-dichlor-2-methoxybenzoova
• MDBA
• Mediben
• Vanquish
• Velsicol 58-CS-11
• Velsicol Compound "R"
• Velsicol compound R
• o-Anisic acid, 3,6-dichloro-

• 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).
• 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
ΔfG°	-294.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.84	kJ/mol	Joback Calculated Property
ΔfusH°	24.62	kJ/mol	Joback Calculated Property
ΔvapH°	72.27	kJ/mol	Joback Calculated Property
log10WS	-1.70		Aq. Sol...
logPoct/wat	2.700		Crippen Calculated Property
McVol	137.610	ml/mol	McGowan Calculated Property
Pc	3736.23	kPa	Joback Calculated Property
Inp	[1617.00; 1617.00]
Inp	1617.00		NIST
Inp	1617.00		NIST
Tboil	667.39	K	Joback Calculated Property
Tc	881.82	K	Joback Calculated Property
Tfus	[386.50; 387.23]	K
Tfus	387.23 ± 0.20	K	NIST
Tfus	386.50 ± 0.10	K	NIST
Vc	0.516	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[295.55; 333.53]	J/mol×K	[667.39; 881.82]
Cp,gas	295.55	J/mol×K	667.39	Joback Calculated Property
Cp,gas	303.07	J/mol×K	703.13	Joback Calculated Property
Cp,gas	310.11	J/mol×K	738.87	Joback Calculated Property
Cp,gas	316.68	J/mol×K	774.61	Joback Calculated Property
Cp,gas	322.77	J/mol×K	810.35	Joback Calculated Property
Cp,gas	328.39	J/mol×K	846.08	Joback Calculated Property
Cp,gas	333.53	J/mol×K	881.82	Joback Calculated Property
η	[0.0000648; 0.0009357]	Pa×s	[436.72; 667.39]
η	0.0009357	Pa×s	436.72	Joback Calculated Property
η	0.0005008	Pa×s	475.17	Joback Calculated Property
η	0.0002944	Pa×s	513.61	Joback Calculated Property
η	0.0001863	Pa×s	552.06	Joback Calculated Property
η	0.0001251	Pa×s	590.50	Joback Calculated Property
η	0.0000883	Pa×s	628.94	Joback Calculated Property
η	0.0000648	Pa×s	667.39	Joback Calculated Property
ΔfusH	22.90	kJ/mol	386.70	NIST

Similar Compounds

Find more compounds similar to Dicamba.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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