Chemical Properties of 3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester (CAS 84949-26-8)

3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester

InChI
InChI=1S/C15H7Cl2F5O3/c1-24-14-7(17)3-2-6(16)8(14)15(23)25-4-5-9(18)11(20)13(22)12(21)10(5)19/h2-3H,4H2,1H3
InChI Key
GJDVJKOVZTUAOF-UHFFFAOYSA-N
Formula
C15H7Cl2F5O3
SMILES
COc1c(Cl)ccc(Cl)c1C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
401.11
CAS
84949-26-8
Other Names
  • Dicamba, PFB
  • Dicamba, PFB ester
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Physical Properties

Property Value Unit Source
ω 0.7990 Relay (1.0) Calculated Property
ΔfG° -1113.63 kJ/mol Joback Calculated Property
ΔfH°gas -1129.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.34 kJ/mol Joback Calculated Property
ΔvapH° 96.69 kJ/mol Relay (1.0) Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -7.49 Relay (1.0) Calculated Property
logPoct/wat 5.054 Crippen Calculated Property
McVol 221.330 ml/mol McGowan Calculated Property
Pc 1756.54 kPa Joback Calculated Property
Tboil 609.58 K Relay (1.0) Calculated Property
Tc 856.04 K Relay (1.0) Calculated Property
Tfus 348.99 K Relay (1.0) Calculated Property
Vc 0.812 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [567.00; 611.41] J/mol×K [805.72; 1011.40] Show Hide
Cp,gas 567.00 J/mol×K 805.72 Joback Calculated Property
Cp,gas 576.41 J/mol×K 840.00 Joback Calculated Property
Cp,gas 585.04 J/mol×K 874.28 Joback Calculated Property
Cp,gas 592.87 J/mol×K 908.56 Joback Calculated Property
Cp,gas 599.88 J/mol×K 942.84 Joback Calculated Property
Cp,gas 606.07 J/mol×K 977.12 Joback Calculated Property
Cp,gas 611.41 J/mol×K 1011.40 Joback Calculated Property

Similar Compounds

Dicamba methyl ester. 2-Methoxybenzoic acid, 2,3,4,5-tetrafluorobenzyl ester. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-phenyl-. 1-Methyladenosine,tris(trimethylsilyl) ether. 1-Methyladenine riboside, TMS. Quinapril desethyl 3Me (Quinaprilate 3Me). Benzquinamide M (O-des-Et), acetylated. MO-cytidine, TMS. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. Cilazapril desethyl 3Me (Cilazaprilate 3Me). killarniensolide, acetylated. 7-acetyl-9-curassavoylheliotridine. Quinapril Me. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine.

Find more compounds similar to 3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester.

Sources

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