- InChI
- InChI=1S/C5H10O3/c1-5-2-6-3-7-4-8-5/h5H,2-4H2,1H3
- InChI Key
- UZLVVHHXLVCCDM-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CC1COCOCO1
- Molecular Weight1
- 118.13
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ΔfG° | -254.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.86 | kJ/mol | Joback Calculated Property |
| log10WS | -0.17 | Crippen Calculated Property | |
| logPoct/wat | 0.353 | Crippen Calculated Property | |
| McVol | 88.060 | ml/mol | McGowan Calculated Property |
| Pc | 4474.22 | kPa | Joback Calculated Property |
| Inp | [812.00; 820.00] |
|
|
| Inp | 812.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 812.00 | NIST | |
| Tboil | 418.47 | K | Joback Calculated Property |
| Tc | 634.66 | K | Joback Calculated Property |
| Tfus | 229.68 | K | Joback Calculated Property |
| Vc | 0.303 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.18; 252.53] | J/mol×K | [418.47; 634.66] |
|
| Cp,gas | 181.18 | J/mol×K | 418.47 | Joback Calculated Property |
| Cp,gas | 194.62 | J/mol×K | 454.50 | Joback Calculated Property |
| Cp,gas | 207.44 | J/mol×K | 490.53 | Joback Calculated Property |
| Cp,gas | 219.64 | J/mol×K | 526.57 | Joback Calculated Property |
| Cp,gas | 231.22 | J/mol×K | 562.60 | Joback Calculated Property |
| Cp,gas | 242.18 | J/mol×K | 598.63 | Joback Calculated Property |
| Cp,gas | 252.53 | J/mol×K | 634.66 | Joback Calculated Property |
| η | [0.0003893; 0.0133475] | Pa×s | [229.68; 418.47] |
|
| η | 0.0133475 | Pa×s | 229.68 | Joback Calculated Property |
| η | 0.0051931 | Pa×s | 261.14 | Joback Calculated Property |
| η | 0.0024753 | Pa×s | 292.61 | Joback Calculated Property |
| η | 0.0013624 | Pa×s | 324.07 | Joback Calculated Property |
| η | 0.0008335 | Pa×s | 355.54 | Joback Calculated Property |
| η | 0.0005523 | Pa×s | 387.00 | Joback Calculated Property |
| η | 0.0003893 | Pa×s | 418.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,7-Trioxepane, 6-methyl.
Sources
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