- InChI
- InChI=1S/C10H16O/c1-6-9(7(2)3)10(11)8(4)5/h6,9-11H,1-2,4H2,3,5H3
- InChI Key
- YAATZFSMWSSRHJ-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C(=C)C)C(O)C(=C)C
- Molecular Weight1
- 152.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4705 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [1052.00; 1053.00] |
|
|
| Inp | 1052.00 | NIST | |
| Inp | 1053.00 | NIST | |
| I | 1524.00 | NIST | |
| Tboil | 462.40 | K | Relay (1.0) Calculated Property |
| Tc | 649.59 | K | Relay (1.0) Calculated Property |
| Tfus | 263.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.11; 391.59] | J/mol×K | [509.30; 688.27] |
|
| Cp,gas | 325.11 | J/mol×K | 509.30 | Joback Calculated Property |
| Cp,gas | 337.66 | J/mol×K | 539.13 | Joback Calculated Property |
| Cp,gas | 349.59 | J/mol×K | 568.96 | Joback Calculated Property |
| Cp,gas | 360.92 | J/mol×K | 598.79 | Joback Calculated Property |
| Cp,gas | 371.67 | J/mol×K | 628.62 | Joback Calculated Property |
| Cp,gas | 381.89 | J/mol×K | 658.45 | Joback Calculated Property |
| Cp,gas | 391.59 | J/mol×K | 688.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isolyratol.
Sources
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