- InChI
- InChI=1S/C11H16O2/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3
- InChI Key
- GIYKXBLKTCZILH-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- CCC(O)(CCO)c1ccccc1
- Molecular Weight1
- 180.24
- CAS
- 93306-72-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -116.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 1.667 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| I | [1824.00; 1824.00] |
|
|
| I | 1824.00 | NIST | |
| I | 1824.00 | NIST | |
| Tboil | 658.89 | K | Joback Calculated Property |
| Tc | 848.86 | K | Joback Calculated Property |
| Tfus | 364.21 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.58; 473.59] | J/mol×K | [658.89; 848.86] |
|
| Cp,gas | 415.58 | J/mol×K | 658.89 | Joback Calculated Property |
| Cp,gas | 426.85 | J/mol×K | 690.55 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 722.21 | Joback Calculated Property |
| Cp,gas | 447.32 | J/mol×K | 753.88 | Joback Calculated Property |
| Cp,gas | 456.62 | J/mol×K | 785.54 | Joback Calculated Property |
| Cp,gas | 465.36 | J/mol×K | 817.20 | Joback Calculated Property |
| Cp,gas | 473.59 | J/mol×K | 848.86 | Joback Calculated Property |
| η | [0.0000159; 0.0079276] | Pa×s | [364.21; 658.89] |
|
| η | 0.0079276 | Pa×s | 364.21 | Joback Calculated Property |
| η | 0.0015215 | Pa×s | 413.32 | Joback Calculated Property |
| η | 0.0004147 | Pa×s | 462.44 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 511.55 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 560.66 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 609.78 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 658.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenyl-1,3-pentanediol.
Sources
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