Chemical Properties of Dichlorophen, O, O'-di(isobutyryl)-

Dichlorophen, O, O'-di(isobutyryl)-

InChI
InChI=1S/C21H22Cl2O4/c1-12(2)20(24)26-18-7-5-16(22)10-14(18)9-15-11-17(23)6-8-19(15)27-21(25)13(3)4/h5-8,10-13H,9H2,1-4H3
InChI Key
NYZJHKVEYLEUNQ-UHFFFAOYSA-N
Formula
C21H22Cl2O4
SMILES
CC(C)C(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)C(C)C
Molecular Weight1
409.30
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Physical Properties

Property Value Unit Source
ΔfusH° 46.76 kJ/mol Joback Calculated Property
IE 8.48 eV Relay (1.0) Calculated Property
log10WS -6.15 Relay (1.0) Calculated Property
logPoct/wat 5.707 Crippen Calculated Property
McVol 298.590 ml/mol McGowan Calculated Property
Inp [2640.00; 2640.00]   Show Hide
Inp 2640.00 NIST
Inp 2640.00 NIST
Tboil 658.87 K Relay (1.0) Calculated Property
Tfus 362.97 K Relay (1.0) Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [405.52; 887.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.64210e+01
Coefficient B1.51888e+00
Coefficient C-7.70840e-04
Coefficient D9.29000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 405.52 J/mol×K 273.00 Calculated Property
Cp,gas 491.40 J/mol×K 353.78 Calculated Property
Cp,gas 568.52 J/mol×K 434.56 Calculated Property
Cp,gas 637.15 J/mol×K 515.33 Calculated Property
Cp,gas 697.60 J/mol×K 596.11 Calculated Property
Cp,gas 750.16 J/mol×K 676.89 Calculated Property
Cp,gas 795.12 J/mol×K 757.67 Calculated Property
Cp,gas 832.78 J/mol×K 838.44 Calculated Property
Cp,gas 863.43 J/mol×K 919.22 Calculated Property
Cp,gas 887.36 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0003244; 0.0000400] Pa×s [543.85; 823.88] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.41885e+01
Coefficient B3.34732e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.543.85
Temperature range, max.823.88
η 0.0003244 Pa×s 543.85 Calculated Property
η 0.0002325 Pa×s 574.96 Calculated Property
η 0.0001724 Pa×s 606.08 Calculated Property
η 0.0001317 Pa×s 637.19 Calculated Property
η 0.0001031 Pa×s 668.31 Calculated Property
η 0.0000825 Pa×s 699.42 Calculated Property
η 0.0000673 Pa×s 730.54 Calculated Property
η 0.0000558 Pa×s 761.65 Calculated Property
η 0.0000470 Pa×s 792.76 Calculated Property
η 0.0000400 Pa×s 823.88 Calculated Property

Similar Compounds

Dichlorophen, O-(isobutyryl)-. Dichlorphen, cyclic ester with dimethylmalonic acid. Dichlorophen, O,O'-di(cyclopropanecarbonyl)-. Dichlorophen, O,O'-di(chloroacetyl)-. Dichlorphen, O,O'-dimethacryloyl-. Dichlorophen, O-(cyclopropanecarbonyl)-. Dichlorphen, O,O'-(4-chlorobutyryl)-. Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-. Dichlorphen, O-isovaleryl-. Dichlorophen, O,O'-di(cyclohexanecarbonyl)-. Dichlorophen, O-(cyclobutanecarbonyl)-. Dichlorophen, O-(3-methylbut-2-enoyl)-. 2,12-Dichloro-7,7-diethyl-6H,14H-dibenzo[f,i][1,5]dioxecine-6,8(7H)-dione. Dichlorophen, O-(6-bromohexanoyl)-. Dichlorophen, O-(cyclohexanecarbonyl)-.

Find more compounds similar to Dichlorophen, O, O'-di(isobutyryl)-.

Sources

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