- InChI
- InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
- InChI Key
- VLJSLTNSFSOYQR-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CC(C)c1cccc(O)c1
- Molecular Weight1
- 136.19
- CAS
- 618-45-1
- Other Names
-
- 3-(1-Methylethyl)phenol
- 3-Isopropylphenol
- 3-isopropylhydroxybenzene
- Isopropylphenol, meta
- Phenol, m-isopropyl-
- m-Cumenol
- m-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.
- 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 | -4993.60 | kJ/mol | NIST |
| ΔfG° | -19.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-190.60; -175.30] | kJ/mol |
|
| ΔfH°gas | -175.30 ± 2.40 | kJ/mol | NIST |
| ΔfH°gas | -190.60 | kJ/mol | NIST |
| ΔfH°liquid | -260.00 | kJ/mol | NIST |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [69.40; 73.01] | kJ/mol |
|
| ΔvapH° | 73.01 | kJ/mol | NIST |
| ΔvapH° | 69.40 | 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 | [1207.00; 1229.20] |
|
|
| Inp | 1207.00 | NIST | |
| Inp | 1227.30 | NIST | |
| Inp | 1227.90 | NIST | |
| Inp | 1229.20 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Tboil | 512.18 | K | Joback Calculated Property |
| Tc | 739.56 | K | Joback Calculated Property |
| Tfus | [298.85; 299.15] | K |
|
| Tfus | Outlier 298.85 ± 0.20 | K | NIST |
| Tfus | 299.15 ± 2.00 | K | NIST |
| Tfus | 299.15 ± 2.00 | K | NIST |
| Tfus | 299.15 ± 2.00 | K | NIST |
| Tfus | 299.15 ± 2.00 | K | NIST |
| Tfus | 299.15 ± 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 |
| ΔvapH | 64.30 | kJ/mol | 437.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [380.92; 529.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54407e+01 | |||
| Coefficient B | -4.55275e+03 | |||
| Coefficient C | -8.04700e+01 | |||
| Temperature range, min. | 380.92 | |||
| Temperature range, max. | 529.94 | |||
| Pvap | 1.33 | kPa | 380.92 | Calculated Property |
| Pvap | 2.94 | kPa | 397.48 | Calculated Property |
| Pvap | 6.00 | kPa | 414.04 | Calculated Property |
| Pvap | 11.44 | kPa | 430.59 | Calculated Property |
| Pvap | 20.59 | kPa | 447.15 | Calculated Property |
| Pvap | 35.20 | kPa | 463.71 | Calculated Property |
| Pvap | 57.57 | kPa | 480.27 | Calculated Property |
| Pvap | 90.55 | kPa | 496.82 | Calculated Property |
| Pvap | 137.57 | kPa | 513.38 | Calculated Property |
| Pvap | 202.66 | kPa | 529.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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