Chemical Properties of trans-3,6-Endomethylene-1,2,3,6-tetrahydrophthaloyl chloride

trans-3,6-Endomethylene-1,2,3,6-tetrahydrophthaloyl chloride

InChI
InChI=1S/C9H8Cl2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2
InChI Key
KANQIAARVSWKKG-UHFFFAOYSA-N
Formula
C9H8Cl2O2
SMILES
O=C(Cl)C1C2C=CC(C2)C1C(=O)Cl
Molecular Weight1
219.07
Other Names
  • Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride, (2-endo,3-exo)-
  • trans-Bicyclo(2.2.1)hept-5-enyl-2,3-dicarbonylchloride
  • 5-Norbornene-2,3-dicarbonyl chloride, trans-
  • (2-endo,3-exo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride
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Physical Properties

Property Value Unit Source
ΔfusH° 28.19 kJ/mol Joback Calculated Property
IE 9.37 eV Relay (1.0) Calculated Property
log10WS -3.73 Relay (1.0) Calculated Property
logPoct/wat 1.955 Crippen Calculated Property
McVol 139.270 ml/mol McGowan Calculated Property
Inp [1385.00; 1385.00]   Show Hide
Inp 1385.00 NIST
Inp 1385.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [171.34; 421.50] 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-5.07400e+01
Coefficient B9.99600e-01
Coefficient C-7.39680e-04
Coefficient D2.12320e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 171.34 J/mol×K 273.00 Calculated Property
Cp,gas 219.72 J/mol×K 353.78 Calculated Property
Cp,gas 261.38 J/mol×K 434.56 Calculated Property
Cp,gas 297.01 J/mol×K 515.33 Calculated Property
Cp,gas 327.26 J/mol×K 596.11 Calculated Property
Cp,gas 352.82 J/mol×K 676.89 Calculated Property
Cp,gas 374.35 J/mol×K 757.67 Calculated Property
Cp,gas 392.53 J/mol×K 838.44 Calculated Property
Cp,gas 408.02 J/mol×K 919.22 Calculated Property
Cp,gas 421.50 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0030735; 0.0017812] Pa×s [375.53; 578.72] 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-7.33862e+00
Coefficient B5.83450e+02
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.375.53
Temperature range, max.578.72
η 0.0030735 Pa×s 375.53 Calculated Property
η 0.0028142 Pa×s 398.11 Calculated Property
η 0.0026014 Pa×s 420.68 Calculated Property
η 0.0024239 Pa×s 443.26 Calculated Property
η 0.0022741 Pa×s 465.84 Calculated Property
η 0.0021462 Pa×s 488.42 Calculated Property
η 0.0020359 Pa×s 510.99 Calculated Property
η 0.0019399 Pa×s 533.57 Calculated Property
η 0.0018556 Pa×s 556.15 Calculated Property
η 0.0017812 Pa×s 578.72 Calculated Property

Similar Compounds

5-Norbornene-2-carbonyl chloride. Ethyl 3-(chlorocarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate. 5-Norbornane-2-carboxaldehyde. Tricyclo[4.2.1.02,5]non-7-ene-3,4-dione, (1«alpha»,2«beta»,5«beta»,6«alpha»)-. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-. 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione. Bicyclo[2.2.1]-5-heptene-2-carboxylic acid. Exo-bicyclo(2.2.1)hept-5-ene-2-carboxylic acid. (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester. 1,4:5,8-Dimethanonaphthalen-9-one, 1,4,4a,5,6,7,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-. 5-Norbornene-2-carboxylic acid,methyl ester.

Find more compounds similar to trans-3,6-Endomethylene-1,2,3,6-tetrahydrophthaloyl chloride.

Sources

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