![Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-](/cid/16-655-7/Propanol-3-1-4-benzodioxan-2-yl-methyl-amino.png "Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-")
- InChI
- InChI=1S/C12H17NO3/c14-7-3-6-13-8-10-9-15-11-4-1-2-5-12(11)16-10/h1-2,4-5,10,13-14H,3,6-9H2
- InChI Key
- HCSGAGXOCHYBLF-UHFFFAOYSA-N
- Formula
- C12H17NO3
- SMILES
- OCCCNCC1COc2ccccc2O1
- Molecular Weight1
- 223.27
- CAS
- 74398-46-2
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7972 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.798 | Crippen Calculated Property | |
| McVol | 172.910 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Tboil | 636.13 | K | Relay (1.0) Calculated Property |
| Tc | 855.42 | K | Relay (1.0) Calculated Property |
| Tfus | 363.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.78; 572.72] | J/mol×K | [712.88; 917.75] | 
|
| Cp,gas | 505.78 | J/mol×K | 712.88 | Joback Calculated Property |
| Cp,gas | 518.87 | J/mol×K | 747.03 | Joback Calculated Property |
| Cp,gas | 531.12 | J/mol×K | 781.17 | Joback Calculated Property |
| Cp,gas | 542.58 | J/mol×K | 815.32 | Joback Calculated Property |
| Cp,gas | 553.30 | J/mol×K | 849.46 | Joback Calculated Property |
| Cp,gas | 563.33 | J/mol×K | 883.61 | Joback Calculated Property |
| Cp,gas | 572.72 | J/mol×K | 917.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-.
Sources
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