- InChI
- InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
- InChI Key
- NBEFMISJJNGCIZ-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- Cc1cc(C)cc(C=O)c1
- Molecular Weight1
- 134.18
- CAS
- 5779-95-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.116 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [1149.00; 1169.00] |
|
|
| Inp | 1169.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1169.00 | NIST | |
| I | 1837.00 | NIST | |
| Tboil | 490.62 | K | Joback Calculated Property |
| Tc | 705.85 | K | Joback Calculated Property |
| Tfus | 284.65 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.09; 296.44] | J/mol×K | [490.62; 705.85] |
|
| Cp,gas | 235.09 | J/mol×K | 490.62 | Joback Calculated Property |
| Cp,gas | 246.84 | J/mol×K | 526.49 | Joback Calculated Property |
| Cp,gas | 257.95 | J/mol×K | 562.36 | Joback Calculated Property |
| Cp,gas | 268.44 | J/mol×K | 598.24 | Joback Calculated Property |
| Cp,gas | 278.35 | J/mol×K | 634.11 | Joback Calculated Property |
| Cp,gas | 287.67 | J/mol×K | 669.98 | Joback Calculated Property |
| Cp,gas | 296.44 | J/mol×K | 705.85 | Joback Calculated Property |
| η | [0.0002714; 0.0017961] | Pa×s | [284.65; 490.62] |
|
| η | 0.0017961 | Pa×s | 284.65 | Joback Calculated Property |
| η | 0.0011064 | Pa×s | 318.98 | Joback Calculated Property |
| η | 0.0007489 | Pa×s | 353.31 | Joback Calculated Property |
| η | 0.0005432 | Pa×s | 387.63 | Joback Calculated Property |
| η | 0.0004151 | Pa×s | 421.96 | Joback Calculated Property |
| η | 0.0003303 | Pa×s | 456.29 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 490.62 | Joback Calculated Property |
Similar Compounds
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Sources
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