- InChI
- InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
- InChI Key
- YPGCWEMNNLXISK-ZETCQYMHSA-N
- Formula
- C9H10O2
- SMILES
- CC(C(=O)O)c1ccccc1
- Molecular Weight1
- 150.17
- CAS
- 7782-26-5
- 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° | -130.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.61 | 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 | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 530.13 | K | Relay (1.0) Calculated Property |
| Tc | 750.69 | K | Relay (1.0) Calculated Property |
| Tfus | 326.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.79; 336.75] | J/mol×K | [577.61; 785.00] | 
|
| Cp,gas | 281.79 | J/mol×K | 577.61 | Joback Calculated Property |
| Cp,gas | 292.57 | J/mol×K | 612.17 | Joback Calculated Property |
| Cp,gas | 302.67 | J/mol×K | 646.74 | Joback Calculated Property |
| Cp,gas | 312.10 | J/mol×K | 681.30 | Joback Calculated Property |
| Cp,gas | 320.91 | J/mol×K | 715.87 | Joback Calculated Property |
| Cp,gas | 329.12 | J/mol×K | 750.43 | Joback Calculated Property |
| Cp,gas | 336.75 | J/mol×K | 785.00 | Joback Calculated Property |
| η | [0.0001014; 0.0107638] | Pa×s | [313.36; 577.61] |
|
| η | 0.0107638 | Pa×s | 313.36 | Joback Calculated Property |
| η | 0.0030643 | Pa×s | 357.40 | Joback Calculated Property |
| η | 0.0011492 | Pa×s | 401.44 | Joback Calculated Property |
| η | 0.0005232 | Pa×s | 445.49 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 489.53 | Joback Calculated Property |
| η | 0.0001602 | Pa×s | 533.57 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 577.61 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.20 | K | 0.10 | NIST |
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Sources
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