- InChI
- InChI=1S/C12H18O3/c1-9(13)4-6-12(15)7-5-10(14)8-11(12,2)3/h4-7,9,13,15H,8H2,1-3H3/b6-4+/t9-,12-/m0/s1
- InChI Key
- BZYRKOLLJAWIFZ-KFFBJUEBSA-N
- Formula
- C12H18O3
- SMILES
- CC(O)C=CC1(O)C=CC(=O)CC1(C)C
- Molecular Weight1
- 210.27
- 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° | -232.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.210 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Inp | [1802.00; 1802.00] |
|
|
| Inp | 1802.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Tboil | 744.38 | K | Joback Calculated Property |
| Tc | 951.91 | K | Joback Calculated Property |
| Tfus | 446.48 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.79; 598.11] | J/mol×K | [744.38; 951.91] |
|
| Cp,gas | 513.79 | J/mol×K | 744.38 | Joback Calculated Property |
| Cp,gas | 527.61 | J/mol×K | 778.97 | Joback Calculated Property |
| Cp,gas | 541.30 | J/mol×K | 813.56 | Joback Calculated Property |
| Cp,gas | 555.03 | J/mol×K | 848.14 | Joback Calculated Property |
| Cp,gas | 568.96 | J/mol×K | 882.73 | Joback Calculated Property |
| Cp,gas | 583.27 | J/mol×K | 917.32 | Joback Calculated Property |
| Cp,gas | 598.11 | J/mol×K | 951.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vomifoliol.
Sources
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