- InChI
- InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
- InChI Key
- YQUQWHNMBPIWGK-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CC(C)c1ccc(O)cc1
- Molecular Weight1
- 136.19
- CAS
- 99-89-8
- Other Names
-
- 1-Hydroxy-4-isopropylbenzene
- 4-(1-Methylethyl)phenol
- 4-Isopropylphenol
- Australol
- NSC 1888
- Phenol, 4-(1-methylethyl)-
- Phenol, p-isopropyl-
- Prodox 133
- p-Cuminol
- p-Isopropylphenol
- ΔcH°solid : Standard solid 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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°solid | [-4983.00; -4977.00] | kJ/mol |
|
| ΔcH°solid | -4983.00 | kJ/mol | NIST |
| ΔcH°solid | -4977.00 ± 13.00 | kJ/mol | NIST |
| ΔfG° | -19.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-183.90; -175.30] | kJ/mol |
|
| ΔfH°gas | -175.30 ± 2.40 | kJ/mol | NIST |
| ΔfH°gas | -183.90 | kJ/mol | NIST |
| ΔfH°solid | -270.00 | kJ/mol | NIST |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [86.10; 88.07] | kJ/mol |
|
| ΔsubH° | 88.07 | kJ/mol | NIST |
| ΔsubH° | 86.10 | kJ/mol | NIST |
| ΔvapH° | 50.53 | kJ/mol | Joback Calculated Property |
| 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 | [206.10; 1247.00] |
|
|
| Inp | 1201.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 206.10 | NIST | |
| Inp | 206.10 | NIST | |
| I | [2227.00; 2243.00] |
|
|
| I | Outlier 2227.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2241.00 | NIST | |
| I | 2243.00 | NIST | |
| I | 2242.00 | NIST | |
| Tboil | [485.50; 503.15] | K |
|
| Tboil | Outlier 485.50 | K | NIST |
| Tboil | 496.20 ± 1.00 | K | NIST |
| Tboil | 501.65 ± 3.00 | K | NIST |
| Tboil | 497.15 ± 3.00 | K | NIST |
| Tboil | 500.15 ± 3.00 | K | NIST |
| Tboil | 502.25 ± 3.00 | K | NIST |
| Tboil | 501.35 ± 3.00 | K | NIST |
| Tboil | 503.15 ± 3.00 | K | NIST |
| Tboil | 500.15 ± 4.00 | K | NIST |
| Tboil | 502.45 ± 3.00 | K | NIST |
| Tboil | 497.15 ± 3.00 | K | NIST |
| Tboil | 501.15 ± 3.00 | K | NIST |
| Tboil | 500.15 ± 3.00 | K | NIST |
| Tc | 739.56 | K | Joback Calculated Property |
| Tfus | [332.00; 336.20] | K |
|
| Tfus | 336.20 ± 0.20 | K | NIST |
| Tfus | 333.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | 335.15 ± 2.00 | K | NIST |
| Tfus | 335.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | Outlier 332.00 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 2.00 | K | NIST |
| Tfus | 334.15 ± 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 |
| ΔsubH | 56.00 ± 2.00 | kJ/mol | 223.00 | NIST |
| ΔvapH | [63.10; 63.70] | kJ/mol | [438.00; 449.00] |
|
| ΔvapH | 63.10 | kJ/mol | 438.00 | NIST |
| ΔvapH | 63.70 | kJ/mol | 449.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [381.88; 531.19] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54416e+01 | |||
| Coefficient B | -4.56253e+03 | |||
| Coefficient C | -8.08030e+01 | |||
| Temperature range, min. | 381.88 | |||
| Temperature range, max. | 531.19 | |||
| Pvap | 1.33 | kPa | 381.88 | Calculated Property |
| Pvap | 2.94 | kPa | 398.47 | Calculated Property |
| Pvap | 6.00 | kPa | 415.06 | Calculated Property |
| Pvap | 11.44 | kPa | 431.65 | Calculated Property |
| Pvap | 20.58 | kPa | 448.24 | Calculated Property |
| Pvap | 35.19 | kPa | 464.83 | Calculated Property |
| Pvap | 57.56 | kPa | 481.42 | Calculated Property |
| Pvap | 90.54 | kPa | 498.01 | Calculated Property |
| Pvap | 137.55 | kPa | 514.60 | Calculated Property |
| Pvap | 202.63 | kPa | 531.19 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Cumenol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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