- InChI
- InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
- InChI Key
- RUMOYJJNUMEFDD-SNVBAGLBSA-N
- Formula
- C10H14O
- SMILES
- C=C(C)C1CC=C(C=O)CC1
- Molecular Weight1
- 150.22
- 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° | 57.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | [1257.00; 1257.00] |
|
|
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Tboil | 497.11 | K | Joback Calculated Property |
| Tc | 710.87 | K | Joback Calculated Property |
| Tfus | 249.40 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.38; 377.49] | J/mol×K | [497.11; 710.87] |
|
| Cp,gas | 294.38 | J/mol×K | 497.11 | Joback Calculated Property |
| Cp,gas | 310.40 | J/mol×K | 532.74 | Joback Calculated Property |
| Cp,gas | 325.51 | J/mol×K | 568.36 | Joback Calculated Property |
| Cp,gas | 339.74 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 353.13 | J/mol×K | 639.62 | Joback Calculated Property |
| Cp,gas | 365.70 | J/mol×K | 675.25 | Joback Calculated Property |
| Cp,gas | 377.49 | J/mol×K | 710.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perillic aldehyde.
Sources
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