- InChI
- InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
- InChI Key
- CRBJBYGJVIBWIY-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CC(C)c1ccccc1O
- Molecular Weight1
- 136.19
- CAS
- 88-69-7
- Other Names
-
- 1-Hydroxy-2-isopropylbenzene
- 2-(1-Methylethyl)phenol
- 2-Isopropylphenol
- Isopropylphenol, ortho
- NSC 5103
- Phenol, o-isopropyl-
- Prodox 131
- o-Cumenol
- o-Hydroxycumene
- o-Isopropylphenol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | -5022.90 | kJ/mol | NIST |
| ΔfG° | -19.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-175.30; -161.30] | kJ/mol |
|
| ΔfH°gas | -175.30 ± 2.40 | kJ/mol | NIST |
| ΔfH°gas | -161.30 | kJ/mol | NIST |
| ΔfH°liquid | -230.00 | kJ/mol | NIST |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.70; 73.01] | kJ/mol |
|
| ΔvapH° | 73.01 | kJ/mol | NIST |
| ΔvapH° | 68.70 | kJ/mol | NIST |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 2.516 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Inp | [203.41; 1203.00] |
|
|
| Inp | 1178.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1175.40 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1198.90 | NIST | |
| Inp | 1199.20 | NIST | |
| Inp | 1200.20 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | Outlier 203.41 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1198.90 | NIST | |
| Inp | 1200.00 | NIST | |
| I | [2089.00; 2111.00] |
|
|
| I | 2111.00 | NIST | |
| I | 2089.00 | NIST | |
| Tboil | 512.18 | K | Joback Calculated Property |
| Tc | 739.56 | K | Joback Calculated Property |
| Tfus | [288.65; 290.00] | K |
|
| Tfus | 290.00 ± 0.20 | K | NIST |
| Tfus | 288.65 ± 2.00 | K | NIST |
| Tfus | 288.65 ± 2.00 | K | NIST |
| Tfus | 288.65 ± 2.00 | K | NIST |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.53; 334.65] | J/mol×K | [512.18; 739.56] |
|
| Cp,gas | 267.53 | J/mol×K | 512.18 | Joback Calculated Property |
| Cp,gas | 280.87 | J/mol×K | 550.08 | Joback Calculated Property |
| Cp,gas | 293.23 | J/mol×K | 587.97 | Joback Calculated Property |
| Cp,gas | 304.71 | J/mol×K | 625.87 | Joback Calculated Property |
| Cp,gas | 315.38 | J/mol×K | 663.76 | Joback Calculated Property |
| Cp,gas | 325.34 | J/mol×K | 701.66 | Joback Calculated Property |
| Cp,gas | 334.65 | J/mol×K | 739.56 | Joback Calculated Property |
| η | [0.0000726; 0.0072081] | Pa×s | [314.33; 512.18] |
|
| η | 0.0072081 | Pa×s | 314.33 | Joback Calculated Property |
| η | 0.0023278 | Pa×s | 347.31 | Joback Calculated Property |
| η | 0.0009146 | Pa×s | 380.28 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 413.25 | Joback Calculated Property |
| η | 0.0002136 | Pa×s | 446.23 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 479.21 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 512.18 | Joback Calculated Property |
| ΔvapH | [55.10; 63.50] | kJ/mol | [418.00; 434.00] |
|
| ΔvapH | 57.30 | kJ/mol | 418.00 | NIST |
| ΔvapH | 55.10 | kJ/mol | 429.50 | NIST |
| ΔvapH | 63.50 | kJ/mol | 434.00 | NIST |
| ΔvapH | 56.10 | kJ/mol | 434.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [370.12; 515.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54296e+01 | |||
| Coefficient B | -4.44272e+03 | |||
| Coefficient C | -7.67170e+01 | |||
| Temperature range, min. | 370.12 | |||
| Temperature range, max. | 515.80 | |||
| Pvap | 1.33 | kPa | 370.12 | Calculated Property |
| Pvap | 2.94 | kPa | 386.31 | Calculated Property |
| Pvap | 6.00 | kPa | 402.49 | Calculated Property |
| Pvap | 11.45 | kPa | 418.68 | Calculated Property |
| Pvap | 20.59 | kPa | 434.87 | Calculated Property |
| Pvap | 35.21 | kPa | 451.05 | Calculated Property |
| Pvap | 57.59 | kPa | 467.24 | Calculated Property |
| Pvap | 90.56 | kPa | 483.43 | Calculated Property |
| Pvap | 137.57 | kPa | 499.61 | Calculated Property |
| Pvap | 202.64 | kPa | 515.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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