- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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 |
|
| 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 |
| Ttriple | [292.16; 292.16] | K |
|
| Ttriple | 292.16 ± 0.02 | K | NIST |
| Ttriple | 292.16 ± 0.02 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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,gas | [184.13; 236.31] | J/mol×K | [426.86; 641.95] |
|
| Cp,gas | 184.13 | J/mol×K | 426.86 | Joback Calculated Property |
| Cp,gas | 194.95 | J/mol×K | 462.71 | Joback Calculated Property |
| Cp,gas | 204.77 | J/mol×K | 498.56 | Joback Calculated Property |
| Cp,gas | 213.69 | J/mol×K | 534.41 | Joback Calculated Property |
| Cp,gas | 221.85 | J/mol×K | 570.26 | Joback Calculated Property |
| Cp,gas | 229.35 | J/mol×K | 606.10 | Joback Calculated Property |
| Cp,gas | 236.31 | J/mol×K | 641.95 | Joback Calculated Property |
| Cp,liquid | 218.70 | J/mol×K | 300.00 | NIST |
| ΔfusH | 16.95 | kJ/mol | 292.20 | NIST |
Similar Compounds
Find more compounds similar to Oxetane, 3,3-bis-(chloromethyl).
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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