- InChI
- InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
- InChI Key
- IQVAERDLDAZARL-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(C=O)c1ccccc1
- Molecular Weight1
- 134.18
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.3578 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.989 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| I | [1314.00; 1314.00] |
|
|
| I | 1314.00 | NIST | |
| I | 1314.00 | NIST | |
| Tboil | 470.95 | K | Relay (1.0) Calculated Property |
| Tc | 702.61 | K | Relay (1.0) Calculated Property |
| Tfus | 267.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.13; 301.39] | J/mol×K | [480.42; 698.22] |
|
| Cp,gas | 235.13 | J/mol×K | 480.42 | Joback Calculated Property |
| Cp,gas | 248.10 | J/mol×K | 516.72 | Joback Calculated Property |
| Cp,gas | 260.25 | J/mol×K | 553.02 | Joback Calculated Property |
| Cp,gas | 271.62 | J/mol×K | 589.32 | Joback Calculated Property |
| Cp,gas | 282.24 | J/mol×K | 625.62 | Joback Calculated Property |
| Cp,gas | 292.15 | J/mol×K | 661.92 | Joback Calculated Property |
| Cp,gas | 301.39 | J/mol×K | 698.22 | Joback Calculated Property |
| η | [0.0002784; 0.0048271] | Pa×s | [244.61; 480.42] |
|
| η | 0.0048271 | Pa×s | 244.61 | Joback Calculated Property |
| η | 0.0021590 | Pa×s | 283.91 | Joback Calculated Property |
| η | 0.0011744 | Pa×s | 323.21 | Joback Calculated Property |
| η | 0.0007289 | Pa×s | 362.51 | Joback Calculated Property |
| η | 0.0004967 | Pa×s | 401.82 | Joback Calculated Property |
| η | 0.0003624 | Pa×s | 441.12 | Joback Calculated Property |
| η | 0.0002784 | Pa×s | 480.42 | Joback Calculated Property |
Similar Compounds
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Sources
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