- InChI
- InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3
- InChI Key
- LFTFGCDECFPSQD-UHFFFAOYSA-N
- Formula
- C13H21NO3
- SMILES
- COc1ccccc1OCC(O)CNC(C)C
- Molecular Weight1
- 239.31
- CAS
- 5741-22-0
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔfG° | -100.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.433 | Crippen Calculated Property | |
| McVol | 197.860 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | [1802.00; 1802.00] |
|
|
| Inp | 1802.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Tboil | 714.81 | K | Joback Calculated Property |
| Tc | 907.62 | K | Joback Calculated Property |
| Tfus | 403.15 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.23; 637.30] | J/mol×K | [714.81; 907.62] |
|
| Cp,gas | 565.23 | J/mol×K | 714.81 | Joback Calculated Property |
| Cp,gas | 579.22 | J/mol×K | 746.95 | Joback Calculated Property |
| Cp,gas | 592.41 | J/mol×K | 779.08 | Joback Calculated Property |
| Cp,gas | 604.80 | J/mol×K | 811.22 | Joback Calculated Property |
| Cp,gas | 616.40 | J/mol×K | 843.35 | Joback Calculated Property |
| Cp,gas | 627.23 | J/mol×K | 875.49 | Joback Calculated Property |
| Cp,gas | 637.30 | J/mol×K | 907.62 | Joback Calculated Property |
Similar Compounds
![Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-.](data:image/png;base64,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)
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