- InChI
- InChI=1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-7,11H,1H3
- InChI Key
- KPQCYFPPETYXOG-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- CC(O)c1ccc(C=O)cc1
- Molecular Weight1
- 150.17
- CAS
- 80463-21-4
- 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).
- 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 | 0.6306 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.552 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Inp | 1291.00 | NIST | |
| I | 1792.00 | NIST | |
| Tboil | 519.18 | K | Relay (1.0) Calculated Property |
| Tc | 772.83 | K | Relay (1.0) Calculated Property |
| Tfus | 342.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.14; 334.94] | J/mol×K | [577.38; 781.10] | 
|
| Cp,gas | 282.14 | J/mol×K | 577.38 | Joback Calculated Property |
| Cp,gas | 292.39 | J/mol×K | 611.33 | Joback Calculated Property |
| Cp,gas | 302.03 | J/mol×K | 645.29 | Joback Calculated Property |
| Cp,gas | 311.08 | J/mol×K | 679.24 | Joback Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 713.19 | Joback Calculated Property |
| Cp,gas | 327.51 | J/mol×K | 747.15 | Joback Calculated Property |
| Cp,gas | 334.94 | J/mol×K | 781.10 | Joback Calculated Property |
| η | [0.0001090; 0.0085877] | Pa×s | [317.95; 577.38] |
|
| η | 0.0085877 | Pa×s | 317.95 | Joback Calculated Property |
| η | 0.0026829 | Pa×s | 361.19 | Joback Calculated Property |
| η | 0.0010749 | Pa×s | 404.43 | Joback Calculated Property |
| η | 0.0005139 | Pa×s | 447.66 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 490.90 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 534.14 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 577.38 | Joback Calculated Property |
Similar Compounds
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Sources
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