Chemical Properties of Dibutyl chlorendate

Dibutyl chlorendate

InChI
InChI=1S/C17H20Cl6O4/c1-3-5-7-26-13(24)9-10(14(25)27-8-6-4-2)16(21)12(19)11(18)15(9,20)17(16,22)23/h9-10H,3-8H2,1-2H3
InChI Key
UJAHPBDUQZFDLA-UHFFFAOYSA-N
Formula
C17H20Cl6O4
SMILES
CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
Molecular Weight1
501.06
Other Names
  • Chlorendic acid dibutyl ester
  • 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, dibutyl ester
  • dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
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Physical Properties

Property Value Unit Source
ω 0.7101 Relay (1.0) Calculated Property
ΔfH°gas -930.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.64 kJ/mol Joback Calculated Property
ΔvapH° 109.48 kJ/mol Relay (1.0) Calculated Property
IE 9.33 eV Relay (1.0) Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 5.751 Crippen Calculated Property
McVol 312.690 ml/mol McGowan Calculated Property
Pc 1336.86 kPa Joback Calculated Property
Tboil 633.22 K Relay (1.0) Calculated Property
Tc 924.59 K Relay (1.0) Calculated Property
Tfus 343.15 K Relay (1.0) Calculated Property
Vc 1.103 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [421.08; 928.06] 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 A-8.57840e+01
Coefficient B2.46344e+00
Coefficient C-2.51300e-03
Coefficient D1.06340e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 421.08 J/mol×K 273.00 Calculated Property
Cp,gas 518.29 J/mol×K 353.78 Calculated Property
Cp,gas 597.43 J/mol×K 434.56 Calculated Property
Cp,gas 661.87 J/mol×K 515.33 Calculated Property
Cp,gas 714.97 J/mol×K 596.11 Calculated Property
Cp,gas 760.09 J/mol×K 676.89 Calculated Property
Cp,gas 800.59 J/mol×K 757.67 Calculated Property
Cp,gas 839.85 J/mol×K 838.44 Calculated Property
Cp,gas 881.21 J/mol×K 919.22 Calculated Property
Cp,gas 928.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Chlorendic anhydride. Endolactone. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. risperidone. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3',5'-bis(O-TMTBSi). Tazettine. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS.

Find more compounds similar to Dibutyl chlorendate.

Sources

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