- InChI
- InChI=1S/C10H14O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3
- InChI Key
- WHYBHJWYBIXOPS-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC(O)C(O)Cc1ccccc1
- Molecular Weight1
- 166.22
- Other Names
-
- 1-Phenylbutan-2,3-diol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -132.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.71 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 0.971 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Inp | [1419.00; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1419.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 638.36 | K | Joback Calculated Property |
| Tc | 827.59 | K | Joback Calculated Property |
| Tfus | 320.52 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.00; 419.64] | J/mol×K | [638.36; 827.59] |
|
| Cp,gas | 364.00 | J/mol×K | 638.36 | Joback Calculated Property |
| Cp,gas | 374.74 | J/mol×K | 669.90 | Joback Calculated Property |
| Cp,gas | 384.85 | J/mol×K | 701.44 | Joback Calculated Property |
| Cp,gas | 394.37 | J/mol×K | 732.97 | Joback Calculated Property |
| Cp,gas | 403.32 | J/mol×K | 764.51 | Joback Calculated Property |
| Cp,gas | 411.74 | J/mol×K | 796.05 | Joback Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 827.59 | Joback Calculated Property |
| η | [0.0000199; 0.0344533] | Pa×s | [320.52; 638.36] |
|
| η | 0.0344533 | Pa×s | 320.52 | Joback Calculated Property |
| η | 0.0041183 | Pa×s | 373.49 | Joback Calculated Property |
| η | 0.0008344 | Pa×s | 426.47 | Joback Calculated Property |
| η | 0.0002406 | Pa×s | 479.44 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 532.41 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 585.39 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 638.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-phenylbutane-2,3-diol.
Sources
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