- InChI
- InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m0/s1
- InChI Key
- CWOFGGNDZOPNFG-GWCFXTLKSA-N
- Formula
- C13H22O3
- SMILES
- CC1=CC(=O)CC(C)(C)C1(O)CCC(C)O
- Molecular Weight1
- 226.31
- Other Names
-
- 7,8-dihydrovomifoliol
- 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).
- I : 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° | -314.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 1.824 | Crippen Calculated Property | |
| McVol | 192.180 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| I | 3262.00 | NIST | |
| Tboil | 768.08 | K | Joback Calculated Property |
| Tc | 968.62 | K | Joback Calculated Property |
| Tfus | 475.35 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.30; 683.71] | J/mol×K | [768.08; 968.62] | 
|
| Cp,gas | 592.30 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 607.40 | J/mol×K | 801.50 | Joback Calculated Property |
| Cp,gas | 622.37 | J/mol×K | 834.93 | Joback Calculated Property |
| Cp,gas | 637.35 | J/mol×K | 868.35 | Joback Calculated Property |
| Cp,gas | 652.48 | J/mol×K | 901.77 | Joback Calculated Property |
| Cp,gas | 667.89 | J/mol×K | 935.19 | Joback Calculated Property |
| Cp,gas | 683.71 | J/mol×K | 968.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Dihydrovomifoliol.
Sources
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