Chemical Properties of Oxetane, 3,3-bis-(chloromethyl)

Oxetane, 3,3-bis-(chloromethyl)

InChI
InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChI Key
CXURGFRDGROIKG-UHFFFAOYSA-N
Formula
C5H8Cl2O
SMILES
ClCC1(CCl)COC1
Molecular Weight1
155.02
Other Names
  • 3,3-bis(chloromethyl)oxetane
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Physical Properties

Property Value Unit Source
ΔcH°liquid -2898.30 ± 1.80 kJ/mol NIST
ΔfH°gas -204.00 ± 1.90 kJ/mol NIST
ΔfH°liquid -260.00 ± 1.80 kJ/mol NIST
ΔfusH° 14.82 kJ/mol Joback Calculated Property
ΔvapH° [55.98; 56.00] kJ/mol Show Hide
ΔvapH° 55.98 kJ/mol NIST
ΔvapH° 55.98 ± 0.38 kJ/mol NIST
ΔvapH° 56.00 ± 0.40 kJ/mol NIST
logPoct/wat 1.481 Crippen Calculated Property
McVol 100.800 ml/mol McGowan Calculated Property
Inp 1077.00 NIST
S°liquid 274.40 J/mol×K NIST
Tfus 291.85 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple [292.16; 292.16] K Show Hide
Ttriple 292.16 ± 0.02 K NIST
Ttriple 292.16 ± 0.02 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 218.70 J/mol×K 300.00 NIST
ΔfusH 16.95 kJ/mol 292.20 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [123.46; 302.19] 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-6.39080e+01
Coefficient B9.22600e-01
Coefficient C-9.81500e-04
Coefficient D4.25000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 123.46 J/mol×K 273.00 Calculated Property
Cp,gas 158.46 J/mol×K 353.78 Calculated Property
Cp,gas 186.54 J/mol×K 434.56 Calculated Property
Cp,gas 209.05 J/mol×K 515.33 Calculated Property
Cp,gas 227.32 J/mol×K 596.11 Calculated Property
Cp,gas 242.70 J/mol×K 676.89 Calculated Property
Cp,gas 256.53 J/mol×K 757.67 Calculated Property
Cp,gas 270.16 J/mol×K 838.44 Calculated Property
Cp,gas 284.93 J/mol×K 919.22 Calculated Property
Cp,gas 302.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Oxetane, 3-chloromethyl-3-hydroxymethyl. Oxetane, 3-chloromethyl-3-iodomethyl. Oxetane, 3-bromomethyl-3-chloromethyl. Oxetane, 3,3-dimethyl-. 2,2-BIS(CHLOROMETHYL)-1-PROPANOL. Loprodiol. Propane, 1-methoxy-2,2-dimethyl-. Propanoic acid, 3-chloro-2,2-dimethyl-, methyl ester. 3-CHLORO-2,2-DIMETHYL-1-PROPANOL. Oxetane, 3-diiodomethyl. Oxetane, 3,3-bis-(hydroxymethyl). Oxetane, 3,3-bis-(bromomethyl). Oxetane, 3-methyl-3-(1,1-dimethylethyl). 3-METHYL-3-OXETANEMETHANOL. Oxetane, 3-ethyl-3-methyl.

Find more compounds similar to Oxetane, 3,3-bis-(chloromethyl).

Sources

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