Chemical Properties of 1-Phenyl-2,2-bis(chloromethyl)-1-butanone

1-Phenyl-2,2-bis(chloromethyl)-1-butanone

InChI
InChI=1S/C12H14Cl2O/c1-2-12(8-13,9-14)11(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key
ADOXRJBMXKQBCH-UHFFFAOYSA-N
Formula
C12H14Cl2O
SMILES
CCC(CCl)(CCl)C(=O)c1ccccc1
Molecular Weight1
245.15
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Physical Properties

Property Value Unit Source
ω 0.4958 Relay (1.0) Calculated Property
ΔfG° 12.63 kJ/mol Joback Calculated Property
ΔfH°gas -193.83 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.46 kJ/mol Joback Calculated Property
ΔvapH° 78.89 kJ/mol Relay (1.0) Calculated Property
IE 9.13 eV Relay (1.0) Calculated Property
log10WS -4.17 Relay (1.0) Calculated Property
logPoct/wat 3.743 Crippen Calculated Property
McVol 182.230 ml/mol McGowan Calculated Property
Pc 2424.27 kPa Joback Calculated Property
Inp 1705.00 NIST
Tboil 577.60 K Relay (1.0) Calculated Property
Tc 814.37 K Relay (1.0) Calculated Property
Tfus 349.95 K Relay (1.0) Calculated Property
Vc 0.612 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [229.06; 526.92] 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-3.32570e+01
Coefficient B1.17632e+00
Coefficient C-8.54100e-04
Coefficient D2.37960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 229.06 J/mol×K 273.00 Calculated Property
Cp,gas 286.54 J/mol×K 353.78 Calculated Property
Cp,gas 336.16 J/mol×K 434.56 Calculated Property
Cp,gas 378.68 J/mol×K 515.33 Calculated Property
Cp,gas 414.86 J/mol×K 596.11 Calculated Property
Cp,gas 445.45 J/mol×K 676.89 Calculated Property
Cp,gas 471.20 J/mol×K 757.67 Calculated Property
Cp,gas 492.86 J/mol×K 838.44 Calculated Property
Cp,gas 511.18 J/mol×K 919.22 Calculated Property
Cp,gas 526.92 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0026032; 0.0002164] Pa×s [363.61; 598.71] 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-1.22851e+01
Coefficient B2.30315e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.363.61
Temperature range, max.598.71
η 0.0026032 Pa×s 363.61 Calculated Property
η 0.0017026 Pa×s 389.73 Calculated Property
η 0.0011746 Pa×s 415.86 Calculated Property
η 0.0008467 Pa×s 441.98 Calculated Property
η 0.0006331 Pa×s 468.10 Calculated Property
η 0.0004881 Pa×s 494.22 Calculated Property
η 0.0003863 Pa×s 520.35 Calculated Property
η 0.0003126 Pa×s 546.47 Calculated Property
η 0.0002579 Pa×s 572.59 Calculated Property
η 0.0002164 Pa×s 598.71 Calculated Property

Similar Compounds

1-Phenyl-2-(chloromethyl)-1-butanone. 1-Phenyl-3-chloro-2,2-bis(chloromethyl)-1-propanone. 3-Methyl-1-phenyl-2-(chloromethyl)-1-butanone. 1-Adamantyl phenyl ketone. 1-Butanone, 2-methyl-1-phenyl-. Cyclobutyl phenyl ketone. 1-Phenyl-2-ethyl-1-propanon-3-ol. Methanone, cyclopentylphenyl-. Phenyl cyclohexyl ketone. o-Chlorophenyl cyclopentyl ketone. Methanone, (1-hydroxycyclohexyl)phenyl-. 1(2H)-Naphthalenone, 3,4-dihydro-2-methyl-. 1-propanone, 3-chloro-2-(chloromethyl)-1-phenyl-. Isocaprophenone. 3,4-Di-p-nitro-benzoyl-heptane.

Find more compounds similar to 1-Phenyl-2,2-bis(chloromethyl)-1-butanone.

Sources

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