- InChI
- InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3
- InChI Key
- DUIOKRXOKLLURE-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCCCCCCCc1ccccc1O
- Molecular Weight1
- 206.32
- CAS
- 949-13-3
- Other Names
-
- Phenol, o-octyl-
- o-Octylphenol
- 2-Octylphenol
- 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° | 24.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 4.295 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| I | [2282.00; 2282.00] |
|
|
| I | 2282.00 | NIST | |
| I | 2282.00 | NIST | |
| Tboil | 627.02 | K | Joback Calculated Property |
| Tc | 831.64 | K | Joback Calculated Property |
| Tfus | 385.68 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.42; 590.99] | J/mol×K | [627.02; 831.64] |
|
| Cp,gas | 505.42 | J/mol×K | 627.02 | Joback Calculated Property |
| Cp,gas | 521.77 | J/mol×K | 661.12 | Joback Calculated Property |
| Cp,gas | 537.19 | J/mol×K | 695.23 | Joback Calculated Property |
| Cp,gas | 551.75 | J/mol×K | 729.33 | Joback Calculated Property |
| Cp,gas | 565.52 | J/mol×K | 763.43 | Joback Calculated Property |
| Cp,gas | 578.57 | J/mol×K | 797.54 | Joback Calculated Property |
| Cp,gas | 590.99 | J/mol×K | 831.64 | Joback Calculated Property |
| η | [0.0000243; 0.0015682] | Pa×s | [385.68; 627.02] |
|
| η | 0.0015682 | Pa×s | 385.68 | Joback Calculated Property |
| η | 0.0005642 | Pa×s | 425.90 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 466.13 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 506.35 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 546.57 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 586.80 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 627.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-octyl-.
Sources
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