- InChI
- InChI=1S/C15H17NO2/c17-14(11-16-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,14,16-17H,11-12H2
- InChI Key
- DSXTWXWHWLDHFS-UHFFFAOYSA-N
- Formula
- C15H17NO2
- SMILES
- OC(CNc1ccccc1)COc1ccccc1
- Molecular Weight1
- 243.30
- CAS
- 16112-55-3
- Other Names
-
- 1-Anilino-3-phenoxy-2-propanol
- N-(3-Phenoxy-2-hydroxypropyl)aniline
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 a given temperature (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).
- 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 | -8034.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 145.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -298.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 29.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 196.410 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 760.29 | K | Joback Calculated Property |
| Tc | 977.39 | K | Joback Calculated Property |
| Tfus | 432.36 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.10; 625.57] | J/mol×K | [760.29; 977.39] | 
|
| Cp,gas | 559.10 | J/mol×K | 760.29 | Joback Calculated Property |
| Cp,gas | 572.54 | J/mol×K | 796.47 | Joback Calculated Property |
| Cp,gas | 584.97 | J/mol×K | 832.66 | Joback Calculated Property |
| Cp,gas | 596.44 | J/mol×K | 868.84 | Joback Calculated Property |
| Cp,gas | 606.99 | J/mol×K | 905.02 | Joback Calculated Property |
| Cp,gas | 616.69 | J/mol×K | 941.21 | Joback Calculated Property |
| Cp,gas | 625.57 | J/mol×K | 977.39 | Joback Calculated Property |
| ΔsubH | [113.90; 114.00] | kJ/mol | [328.00; 343.00] |
|
| ΔsubH | 113.90 | kJ/mol | 328.00 | NIST |
| ΔsubH | 114.00 ± 2.00 | kJ/mol | 343.00 | NIST |
| ΔvapH | 99.90 | kJ/mol | 358.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propanol, 1-phenoxy-3-(phenylamino)-.
Sources
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