- InChI
- InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
- InChI Key
- KLSLBUSXWBJMEC-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCCc1ccc(O)cc1
- Molecular Weight1
- 136.19
- CAS
- 645-56-7
- Other Names
-
- 1-Hydroxy-4-n-propylbenzene
- 4-Propylphenol
- 4-n-Propylphenol
- Dihydrochavicol
- NSC 65647
- Phenol, p-propyl-
- p-Hydroxypropylbenzene
- p-Propylphenol
- p-n-Propylphenol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -17.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Inp | [1231.30; 1285.00] |
|
|
| Inp | 1235.00 | NIST | |
| Inp | 1231.30 | NIST | |
| Inp | 1257.50 | NIST | |
| Inp | 1259.90 | NIST | |
| Inp | 1260.40 | NIST | |
| Inp | 1261.70 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1231.30 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1257.50 | NIST | |
| I | [2234.00; 2275.00] |
|
|
| I | 2250.00 | NIST | |
| I | 2275.00 | NIST | |
| I | 2234.00 | NIST | |
| I | 2238.00 | NIST | |
| I | 2234.00 | NIST | |
| I | 2250.00 | NIST | |
| Tboil | [501.15; 507.65] | K |
|
| Tboil | 505.80 | K | NIST |
| Tboil | 505.75 ± 3.00 | K | NIST |
| Tboil | 505.75 ± 3.00 | K | NIST |
| Tboil | 506.25 ± 3.00 | K | NIST |
| Tboil | 507.65 ± 3.00 | K | NIST |
| Tboil | 501.15 ± 3.00 | K | NIST |
| Tboil | 502.15 ± 3.00 | K | NIST |
| Tboil | 504.15 ± 3.00 | K | NIST |
| Tc | 734.79 | K | Joback Calculated Property |
| Tfus | [293.65; 297.15] | K |
|
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 294.15 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 293.65 ± 2.00 | K | NIST |
| Tfus | Outlier 297.15 ± 1.00 | K | NIST |
| Tfus | 294.65 ± 2.00 | K | NIST |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.25; 332.77] | J/mol×K | [512.62; 734.79] |
|
| Cp,gas | 267.25 | J/mol×K | 512.62 | Joback Calculated Property |
| Cp,gas | 280.20 | J/mol×K | 549.65 | Joback Calculated Property |
| Cp,gas | 292.23 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 303.43 | J/mol×K | 623.70 | Joback Calculated Property |
| Cp,gas | 313.87 | J/mol×K | 660.73 | Joback Calculated Property |
| Cp,gas | 323.62 | J/mol×K | 697.76 | Joback Calculated Property |
| Cp,gas | 332.77 | J/mol×K | 734.79 | Joback Calculated Property |
| η | [0.0000766; 0.0042723] | Pa×s | [329.33; 512.62] |
|
| η | 0.0042723 | Pa×s | 329.33 | Joback Calculated Property |
| η | 0.0016445 | Pa×s | 359.88 | Joback Calculated Property |
| η | 0.0007350 | Pa×s | 390.43 | Joback Calculated Property |
| η | 0.0003692 | Pa×s | 420.98 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 451.52 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 482.07 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 512.62 | Joback Calculated Property |
| ΔvapH | [51.50; 61.30] | kJ/mol | [432.00; 445.50] |
|
| ΔvapH | 61.30 | kJ/mol | 432.00 | NIST |
| ΔvapH | 59.50 | kJ/mol | 432.00 | NIST |
| ΔvapH | 58.40 | kJ/mol | 432.00 | NIST |
| ΔvapH | 56.20 | kJ/mol | 432.00 | NIST |
| ΔvapH | 51.50 | kJ/mol | 432.00 | NIST |
| ΔvapH | 56.70 | kJ/mol | 445.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [385.32; 533.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55943e+01 | |||
| Coefficient B | -4.64285e+03 | |||
| Coefficient C | -8.19990e+01 | |||
| Temperature range, min. | 385.32 | |||
| Temperature range, max. | 533.51 | |||
| Pvap | 1.33 | kPa | 385.32 | Calculated Property |
| Pvap | 2.93 | kPa | 401.79 | Calculated Property |
| Pvap | 5.97 | kPa | 418.25 | Calculated Property |
| Pvap | 11.37 | kPa | 434.72 | Calculated Property |
| Pvap | 20.46 | kPa | 451.18 | Calculated Property |
| Pvap | 35.00 | kPa | 467.65 | Calculated Property |
| Pvap | 57.30 | kPa | 484.11 | Calculated Property |
| Pvap | 90.23 | kPa | 500.58 | Calculated Property |
| Pvap | 137.31 | kPa | 517.04 | Calculated Property |
| Pvap | 202.63 | kPa | 533.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-propyl-.
Sources
- Crippen Method
- Crippen Method
- Effect of Isomers on Partition Coefficients for Phenolic Compounds in the 1-Butyl-3-methylimidazolium Hexafluorophosphate + Water Two-Phase System
- 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
property mean.