- InChI
- InChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3
- InChI Key
- HHFOOWPWAXNJNY-UHFFFAOYSA-N
- Formula
- C10H20O3
- SMILES
- CC(C)C1(C(C)C)OCC(CO)O1
- Molecular Weight1
- 188.26
- CAS
- 470-43-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -257.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.57 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 158.510 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1252.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Tboil | 584.25 | K | Joback Calculated Property |
| Tc | 776.79 | K | Joback Calculated Property |
| Tfus | 316.98 | K | Joback Calculated Property |
| Vc | 0.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.84; 513.51] | J/mol×K | [584.25; 776.79] |
|
| Cp,gas | 432.84 | J/mol×K | 584.25 | Joback Calculated Property |
| Cp,gas | 447.96 | J/mol×K | 616.34 | Joback Calculated Property |
| Cp,gas | 462.31 | J/mol×K | 648.43 | Joback Calculated Property |
| Cp,gas | 475.95 | J/mol×K | 680.52 | Joback Calculated Property |
| Cp,gas | 488.98 | J/mol×K | 712.61 | Joback Calculated Property |
| Cp,gas | 501.47 | J/mol×K | 744.70 | Joback Calculated Property |
| Cp,gas | 513.51 | J/mol×K | 776.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Promoxolane.
Sources
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