- InChI
- InChI=1S/C9H10O/c1-3-8-7(2)5-4-6-9(8)10/h3-6,10H,1H2,2H3
- InChI Key
- MCBGBITUMUAJMT-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- C=Cc1c(C)cccc1O
- 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).
- Inp : Non-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 | 0.5192 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Tboil | 487.83 | K | Relay (1.0) Calculated Property |
| Tc | 731.38 | K | Relay (1.0) Calculated Property |
| Tfus | 271.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.93; 308.20] | J/mol×K | [514.28; 742.74] | 
|
| Cp,gas | 248.93 | J/mol×K | 514.28 | Joback Calculated Property |
| Cp,gas | 260.71 | J/mol×K | 552.36 | Joback Calculated Property |
| Cp,gas | 271.62 | J/mol×K | 590.43 | Joback Calculated Property |
| Cp,gas | 281.74 | J/mol×K | 628.51 | Joback Calculated Property |
| Cp,gas | 291.16 | J/mol×K | 666.59 | Joback Calculated Property |
| Cp,gas | 299.95 | J/mol×K | 704.66 | Joback Calculated Property |
| Cp,gas | 308.20 | J/mol×K | 742.74 | Joback Calculated Property |
| η | [0.0000741; 0.0026381] | Pa×s | [340.09; 514.28] |
|
| η | 0.0026381 | Pa×s | 340.09 | Joback Calculated Property |
| η | 0.0011507 | Pa×s | 369.12 | Joback Calculated Property |
| η | 0.0005665 | Pa×s | 398.15 | Joback Calculated Property |
| η | 0.0003071 | Pa×s | 427.19 | Joback Calculated Property |
| η | 0.0001799 | Pa×s | 456.22 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 485.25 | Joback Calculated Property |
| η | 0.0000741 | Pa×s | 514.28 | Joback Calculated Property |
Similar Compounds
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Sources
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