- InChI
- InChI=1S/C10H14O/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7,11H,3,5H2,1-2H3
- InChI Key
- NXSQQKKFGJHACS-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCCc1cccc(C)c1O
- Molecular Weight1
- 150.22
- CAS
- 3520-52-3
- Other Names
-
- Phenol, 2-methyl-6-propyl-
- 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).
- 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.
- 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 | 0.5660 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.653 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Inp | 1320.00 | NIST | |
| Tboil | 499.90 | K | Relay (1.0) Calculated Property |
| Tc | 719.14 | K | Relay (1.0) Calculated Property |
| Tfus | 295.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.80; 436.09] | 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 | -3.47280e+01 | |||
| Coefficient B | 9.70040e-01 | |||
| Coefficient C | -7.40720e-04 | |||
| Coefficient D | 2.41500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 266.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 301.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 331.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 380.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 418.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022455; 0.0000632] | Pa×s | [353.12; 532.18] |
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 | -1.67099e+01 | |||
| Coefficient B | 3.74698e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 353.12 | |||
| Temperature range, max. | 532.18 | |||
| η | 0.0022455 | Pa×s | 353.12 | Calculated Property |
| η | 0.0012750 | Pa×s | 373.02 | Calculated Property |
| η | 0.0007667 | Pa×s | 392.91 | Calculated Property |
| η | 0.0004842 | Pa×s | 412.81 | Calculated Property |
| η | 0.0003190 | Pa×s | 432.70 | Calculated Property |
| η | 0.0002180 | Pa×s | 452.60 | Calculated Property |
| η | 0.0001538 | Pa×s | 472.49 | Calculated Property |
| η | 0.0001117 | Pa×s | 492.39 | Calculated Property |
| η | 0.0000831 | Pa×s | 512.28 | Calculated Property |
| η | 0.0000632 | Pa×s | 532.18 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [392.00; 537.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59298e+01 | |||
| Coefficient B | -4.81278e+03 | |||
| Coefficient C | -8.43200e+01 | |||
| Temperature range, min. | 392.00 | |||
| Temperature range, max. | 537.57 | |||
| Pvap | 1.33 | kPa | 392.00 | Calculated Property |
| Pvap | 2.91 | kPa | 408.17 | Calculated Property |
| Pvap | 5.90 | kPa | 424.35 | Calculated Property |
| Pvap | 11.23 | kPa | 440.52 | Calculated Property |
| Pvap | 20.19 | kPa | 456.70 | Calculated Property |
| Pvap | 34.58 | kPa | 472.87 | Calculated Property |
| Pvap | 56.73 | kPa | 489.05 | Calculated Property |
| Pvap | 89.59 | kPa | 505.22 | Calculated Property |
| Pvap | 136.79 | kPa | 521.40 | Calculated Property |
| Pvap | 202.63 | kPa | 537.57 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-6-propylphenol.
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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