- InChI
- InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
- InChI Key
- IJALWSVNUBBQRA-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- Cc1cc(O)ccc1C(C)C
- Molecular Weight1
- 150.22
- CAS
- 3228-02-2
- Other Names
-
- 1-Hydroxy-3-methyl-4-isopropylbenzene
- 4-Isopropyl-3-methylphenol
- 4-Isopropyl-5-methylphenol
- 4-Isopropyl-m-cresol
- Biosol
- Phenol, 3-methyl-4-(1-methylethyl)-
- o-Cymen-5-ol
- p-Thymol
- 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).
- 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).
- 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°solid | -5648.00 | kJ/mol | NIST |
| ΔfG° | -20.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.00 | kJ/mol | NIST |
| ΔfH°solid | -290.00 | kJ/mol | NIST |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [104.40; 106.00] | kJ/mol |
|
| ΔsubH° | 104.40 | kJ/mol | NIST |
| ΔsubH° | 106.00 | kJ/mol | NIST |
| ΔvapH° | 53.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.824 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | [1332.20; 1336.90] |
|
|
| Inp | 1332.20 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1336.90 | NIST | |
| Inp | 1332.20 | NIST | |
| Tboil | [511.15; 519.15] | K |
|
| Tboil | 511.15 ± 3.00 | K | NIST |
| Tboil | 519.15 ± 4.00 | K | NIST |
| Tboil | 511.15 ± 3.00 | K | NIST |
| Tboil | 511.15 ± 4.00 | K | NIST |
| Tc | 764.51 | K | Joback Calculated Property |
| Tfus | [384.15; 387.15] | K |
|
| Tfus | 387.15 ± 2.00 | K | NIST |
| Tfus | 387.15 ± 2.00 | K | NIST |
| Tfus | 385.65 ± 2.00 | K | NIST |
| Tfus | 385.65 ± 2.00 | K | NIST |
| Tfus | 384.75 ± 2.00 | K | NIST |
| Tfus | 384.15 ± 2.00 | K | NIST |
| Tfus | 385.15 ± 2.00 | K | NIST |
| Tfus | 387.15 ± 2.00 | K | NIST |
| Vc | 0.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.65; 382.61] | J/mol×K | [540.04; 764.51] |
|
| Cp,gas | 311.65 | J/mol×K | 540.04 | Joback Calculated Property |
| Cp,gas | 325.50 | J/mol×K | 577.45 | Joback Calculated Property |
| Cp,gas | 338.45 | J/mol×K | 614.86 | Joback Calculated Property |
| Cp,gas | 350.56 | J/mol×K | 652.28 | Joback Calculated Property |
| Cp,gas | 361.90 | J/mol×K | 689.69 | Joback Calculated Property |
| Cp,gas | 372.56 | J/mol×K | 727.10 | Joback Calculated Property |
| Cp,gas | 382.61 | J/mol×K | 764.51 | Joback Calculated Property |
| η | [0.0000535; 0.0035167] | Pa×s | [338.12; 540.04] |
|
| η | 0.0035167 | Pa×s | 338.12 | Joback Calculated Property |
| η | 0.0012767 | Pa×s | 371.77 | Joback Calculated Property |
| η | 0.0005484 | Pa×s | 405.43 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 439.08 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 472.73 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 506.39 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 540.04 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [388.00; 538.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54655e+01 | |||
| Coefficient B | -4.63032e+03 | |||
| Coefficient C | -8.29300e+01 | |||
| Temperature range, min. | 388.00 | |||
| Temperature range, max. | 538.94 | |||
| Pvap | 1.33 | kPa | 388.00 | Calculated Property |
| Pvap | 2.94 | kPa | 404.77 | Calculated Property |
| Pvap | 6.00 | kPa | 421.54 | Calculated Property |
| Pvap | 11.43 | kPa | 438.31 | Calculated Property |
| Pvap | 20.56 | kPa | 455.08 | Calculated Property |
| Pvap | 35.17 | kPa | 471.86 | Calculated Property |
| Pvap | 57.53 | kPa | 488.63 | Calculated Property |
| Pvap | 90.50 | kPa | 505.40 | Calculated Property |
| Pvap | 137.52 | kPa | 522.17 | Calculated Property |
| Pvap | 202.65 | kPa | 538.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-4-isopropylphenol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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