- InChI
- InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-6,9-10,12H,1,3-4H2,2H3
- InChI Key
- CGYLWHVYZDSTDR-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- C=C(C)C1CCC(C=O)=CC1O
- Molecular Weight1
- 166.22
- 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° | -86.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.459 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1352.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Tboil | 584.62 | K | Joback Calculated Property |
| Tc | 783.90 | K | Joback Calculated Property |
| Tfus | 305.98 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.59; 422.94] | J/mol×K | [584.62; 783.90] |
|
| Cp,gas | 352.59 | J/mol×K | 584.62 | Joback Calculated Property |
| Cp,gas | 366.11 | J/mol×K | 617.83 | Joback Calculated Property |
| Cp,gas | 378.88 | J/mol×K | 651.05 | Joback Calculated Property |
| Cp,gas | 390.93 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 402.27 | J/mol×K | 717.47 | Joback Calculated Property |
| Cp,gas | 412.94 | J/mol×K | 750.69 | Joback Calculated Property |
| Cp,gas | 422.94 | J/mol×K | 783.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxyperillaldehyde.
Sources
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