Chemical Properties of Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-

Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-

InChI
InChI=1S/C23H22Cl2O4/c1-14(2)9-22(26)28-20-7-5-18(24)12-16(20)11-17-13-19(25)6-8-21(17)29-23(27)10-15(3)4/h5-10,12-13H,11H2,1-4H3
InChI Key
LVDOXQUBTQZYRA-UHFFFAOYSA-N
Formula
C23H22Cl2O4
SMILES
CC(C)=CC(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)C=C(C)C
Molecular Weight1
433.33
Other Names
  • Dichlorophen, O,O'-di(3-methylbut-2-enoyl)-
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Physical Properties

Property Value Unit Source
ΔfusH° 56.77 kJ/mol Joback Calculated Property
IE 8.21 eV Relay (1.0) Calculated Property
logPoct/wat 6.327 Crippen Calculated Property
McVol 318.170 ml/mol McGowan Calculated Property
Inp [3021.00; 3021.00]   Show Hide
Inp 3021.00 NIST
Inp 3021.00 NIST
Tboil 691.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 [420.87; 927.76] 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 A2.02210e+01
Coefficient B1.73688e+00
Coefficient C-1.04544e-03
Coefficient D2.16100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 420.87 J/mol×K 273.00 Calculated Property
Cp,gas 513.41 J/mol×K 353.78 Calculated Property
Cp,gas 595.31 J/mol×K 434.56 Calculated Property
Cp,gas 667.23 J/mol×K 515.33 Calculated Property
Cp,gas 729.87 J/mol×K 596.11 Calculated Property
Cp,gas 783.92 J/mol×K 676.89 Calculated Property
Cp,gas 830.04 J/mol×K 757.67 Calculated Property
Cp,gas 868.94 J/mol×K 838.44 Calculated Property
Cp,gas 901.28 J/mol×K 919.22 Calculated Property
Cp,gas 927.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-.

Sources

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