- 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
- CAS
- 78-71-7
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2898.30 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -75.60 | kJ/mol | Joback Calculated Property |
| 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 |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | 1.481 | Crippen Calculated Property | |
| McVol | 100.800 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Inp | 1077.00 | NIST | |
| S°liquid | 274.40 | J/mol×K | NIST |
| Tboil | 426.86 | K | Joback Calculated Property |
| Tc | 641.95 | K | Joback Calculated Property |
| Tfus | 270.84 | K | Joback Calculated Property |
| Ttriple | 292.16 ± 0.02 | K | NIST |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
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
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