- InChI
- InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
- InChI Key
- LOJHHQNEBFCTQK-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CC(CO)Oc1ccccc1
- Molecular Weight1
- 152.19
- CAS
- 4169-04-4
- Other Names
-
- 2-Phenoxy-1-propanol
- 2-Phenoxypropanol
- 2-Phenoxypropyl alcohol
- Dowanol pph glycol ether
- Propylene glycol monophenyl ether
- Propylene glycol phenyl ether
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- ΔfusH° : Enthalpy of fusion 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| Tflash,cc | 400.15 | K | NCMS SOLV-DB |
| ΔfusH° | 14.86 | kJ/mol | Joback Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.497 | NCMS SOLV-DB | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Ip | 2131.00 | NIST | |
| Tboil | 515.85 | K | NCMS SOLV-DB |
| Tfus | 285.93 | K | NCMS SOLV-DB |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | 0.01 | kPa | 298.15 | NCMS SOLV-DB |
| n0 | 1.52200 | 298.15 | NCMS SOLV-DB | |
| γ | 0.04 | N/m | 298.15 | NCMS SOLV-DB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.74; 402.83] | 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 | -1.00890e+01 | |||
| Coefficient B | 7.56620e-01 | |||
| Coefficient C | -4.19600e-04 | |||
| Coefficient D | 7.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 278.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 307.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 374.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 389.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0148589; 0.0001172] | Pa×s | [285.93; 520.70] |
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 | -1.49489e+01 | |||
| Coefficient B | 3.07080e+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. | 285.93 | |||
| Temperature range, max. | 520.70 | |||
| η | 0.0148589 | Pa×s | 285.93 | Calculated Property |
| η | 0.0060540 | Pa×s | 312.02 | Calculated Property |
| η | 0.0028332 | Pa×s | 338.10 | Calculated Property |
| η | 0.0014782 | Pa×s | 364.19 | Calculated Property |
| η | 0.0008413 | Pa×s | 390.27 | Calculated Property |
| η | 0.0005139 | Pa×s | 416.36 | Calculated Property |
| η | 0.0003327 | Pa×s | 442.44 | Calculated Property |
| η | 0.0002261 | Pa×s | 468.53 | Calculated Property |
| η | 0.0001600 | Pa×s | 494.62 | Calculated Property |
| η | 0.0001172 | Pa×s | 520.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2-phenoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- NCMS SOLV-DB
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.