- InChI
- InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
- InChI Key
- YPGCWEMNNLXISK-SSDOTTSWSA-N
- Formula
- C9H10O2
- SMILES
- CC(C(=O)O)c1ccccc1
- Molecular Weight1
- 150.17
- CAS
- 7782-24-3
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6075 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.875 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Tboil | 530.13 | K | Relay (1.0) Calculated Property |
| Tc | 756.21 | K | Relay (1.0) Calculated Property |
| Tfus | 322.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.44; 343.95] | J/mol×K | [577.27; 806.31] | 
|
| Cp,gas | 284.44 | J/mol×K | 577.27 | Joback Calculated Property |
| Cp,gas | 296.36 | J/mol×K | 615.44 | Joback Calculated Property |
| Cp,gas | 307.42 | J/mol×K | 653.62 | Joback Calculated Property |
| Cp,gas | 317.66 | J/mol×K | 691.79 | Joback Calculated Property |
| Cp,gas | 327.12 | J/mol×K | 729.97 | Joback Calculated Property |
| Cp,gas | 335.87 | J/mol×K | 768.14 | Joback Calculated Property |
| Cp,gas | 343.95 | J/mol×K | 806.31 | Joback Calculated Property |
| η | [0.0002167; 0.0016664] | Pa×s | [363.21; 577.27] |
|
| η | 0.0016664 | Pa×s | 363.21 | Joback Calculated Property |
| η | 0.0010188 | Pa×s | 398.89 | Joback Calculated Property |
| η | 0.0006753 | Pa×s | 434.56 | Joback Calculated Property |
| η | 0.0004764 | Pa×s | 470.24 | Joback Calculated Property |
| η | 0.0003531 | Pa×s | 505.92 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 541.59 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 577.27 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.20 | K | 0.10 | NIST |
Similar Compounds
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