- InChI
- InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
- InChI Key
- LCHYEKKJCUJAKN-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCCc1ccccc1O
- Molecular Weight1
- 136.19
- CAS
- 644-35-9
- Other Names
-
- 1-Hydroxy-2-n-propylbenzene
- 2-Propylphenol
- 2-n-Propylphenol
- Phenol, o-propyl-
- o-Propylphenol
- o-n-Propylphenol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5461 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) 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 | [204.90; 1244.00] |
|
|
| Inp | 1197.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1229.20 | NIST | |
| Inp | 1221.30 | NIST | |
| Inp | 1222.20 | NIST | |
| Inp | 1223.90 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 209.30 | NIST | |
| Inp | 204.90 | NIST | |
| Inp | 207.37 | NIST | |
| Inp | 209.30 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1244.00 | NIST | |
| I | [2116.00; 2128.00] |
|
|
| I | 2128.00 | NIST | |
| I | 2116.00 | NIST | |
| I | 2125.00 | NIST | |
| I | 2116.00 | NIST | |
| Tboil | [492.55; 498.20] | K |
|
| Tboil | 498.20 | K | NIST |
| Tboil | 493.20 | K | NIST |
| Tboil | 493.15 ± 2.00 | K | NIST |
| Tboil | 493.15 ± 2.00 | K | NIST |
| Tboil | 492.55 ± 2.00 | K | NIST |
| Tboil | 497.15 ± 3.00 | K | NIST |
| Tc | 711.35 | K | Relay (1.0) Calculated Property |
| Tfus | [280.15; 280.15] | K |
|
| Tfus | 280.15 ± 2.00 | K | NIST |
| Tfus | 280.15 ± 2.00 | K | NIST |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [53.00; 59.90] | kJ/mol | [436.00; 442.50] |
|
| ΔvapH | 56.90 | kJ/mol | 436.00 | NIST |
| ΔvapH | 59.90 | kJ/mol | 442.50 | NIST |
| ΔvapH | 57.20 | kJ/mol | 442.50 | NIST |
| ΔvapH | 53.00 | kJ/mol | 442.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.04; 387.54] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.81180e+01 | |||
| Coefficient B | 9.34520e-01 | |||
| Coefficient C | -7.53360e-04 | |||
| Coefficient D | 2.54500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 199.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 318.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 338.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 372.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 387.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0307721; 0.0000745] | Pa×s | [280.15; 514.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.67029e+01 | |||
| Coefficient B | 3.70408e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 280.15 | |||
| Temperature range, max. | 514.55 | |||
| η | 0.0307721 | Pa×s | 280.15 | Calculated Property |
| η | 0.0099939 | Pa×s | 306.19 | Calculated Property |
| η | 0.0038716 | Pa×s | 332.24 | Calculated Property |
| η | 0.0017215 | Pa×s | 358.28 | Calculated Property |
| η | 0.0008544 | Pa×s | 384.33 | Calculated Property |
| η | 0.0004635 | Pa×s | 410.37 | Calculated Property |
| η | 0.0002704 | Pa×s | 436.42 | Calculated Property |
| η | 0.0001677 | Pa×s | 462.46 | Calculated Property |
| η | 0.0001094 | Pa×s | 488.51 | Calculated Property |
| η | 0.0000745 | Pa×s | 514.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [374.04; 524.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52146e+01 | |||
| Coefficient B | -4.41782e+03 | |||
| Coefficient C | -7.80790e+01 | |||
| Temperature range, min. | 374.04 | |||
| Temperature range, max. | 524.18 | |||
| Pvap | 1.33 | kPa | 374.04 | Calculated Property |
| Pvap | 2.96 | kPa | 390.72 | Calculated Property |
| Pvap | 6.05 | kPa | 407.40 | Calculated Property |
| Pvap | 11.55 | kPa | 424.09 | Calculated Property |
| Pvap | 20.78 | kPa | 440.77 | Calculated Property |
| Pvap | 35.50 | kPa | 457.45 | Calculated Property |
| Pvap | 57.98 | kPa | 474.13 | Calculated Property |
| Pvap | 91.00 | kPa | 490.82 | Calculated Property |
| Pvap | 137.93 | kPa | 507.50 | Calculated Property |
| Pvap | 202.64 | kPa | 524.18 | Calculated Property |
| Pvap | [1.22; 89.51] | kPa | [377.50; 494.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.07784e+01 | |||
| Coefficient B | -1.81417e+03 | |||
| Coefficient C | -2.06004e+02 | |||
| Reference | von Terres, Gebert, et al., 1955, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 377.50 | |||
| Temperature range, max. | 494.70 | |||
| Pvap | 1.22 | kPa | 377.50 | Calculated Property |
| Pvap | 2.58 | kPa | 390.52 | Calculated Property |
| Pvap | 4.93 | kPa | 403.54 | Calculated Property |
| Pvap | 8.69 | kPa | 416.57 | Calculated Property |
| Pvap | 14.36 | kPa | 429.59 | Calculated Property |
| Pvap | 22.44 | kPa | 442.61 | Calculated Property |
| Pvap | 33.48 | kPa | 455.63 | Calculated Property |
| Pvap | 48.00 | kPa | 468.66 | Calculated Property |
| Pvap | 66.52 | kPa | 481.68 | Calculated Property |
| Pvap | 89.51 | kPa | 494.70 | Calculated Property |
| Pvap | [1.22; 89.51] | kPa | [377.50; 494.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.07784e+01 | |||
| Coefficient B | -1.81417e+03 | |||
| Coefficient C | -2.06004e+02 | |||
| Reference | von Terres, Gebert, et al., 1955 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 377.50 | |||
| Temperature range, max. | 494.70 | |||
| Pvap | 1.22 | kPa | 377.50 | Calculated Property |
| Pvap | 2.58 | kPa | 390.52 | Calculated Property |
| Pvap | 4.93 | kPa | 403.54 | Calculated Property |
| Pvap | 8.69 | kPa | 416.57 | Calculated Property |
| Pvap | 14.36 | kPa | 429.59 | Calculated Property |
| Pvap | 22.44 | kPa | 442.61 | Calculated Property |
| Pvap | 33.48 | kPa | 455.63 | Calculated Property |
| Pvap | 48.00 | kPa | 468.66 | Calculated Property |
| Pvap | 66.52 | kPa | 481.68 | Calculated Property |
| Pvap | 89.51 | kPa | 494.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-propyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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