- InChI
- InChI=1S/C9H13NO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7,10H2
- InChI Key
- DXAZQYFSQMFTIP-UHFFFAOYSA-N
- Formula
- C9H13NO
- SMILES
- Nc1ccccc1CCCO
- Molecular Weight1
- 151.21
- 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).
- 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 | 0.7471 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.194 | Crippen Calculated Property | |
| McVol | 129.760 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Inp | 1451.00 | NIST | |
| Tboil | 578.50 | K | Relay (1.0) Calculated Property |
| Tc | 823.37 | K | Relay (1.0) Calculated Property |
| Tfus | 306.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.448 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.22; 379.10] | J/mol×K | [601.69; 806.50] | 
|
| Cp,gas | 321.22 | J/mol×K | 601.69 | Joback Calculated Property |
| Cp,gas | 332.40 | J/mol×K | 635.83 | Joback Calculated Property |
| Cp,gas | 342.93 | J/mol×K | 669.96 | Joback Calculated Property |
| Cp,gas | 352.84 | J/mol×K | 704.10 | Joback Calculated Property |
| Cp,gas | 362.15 | J/mol×K | 738.23 | Joback Calculated Property |
| Cp,gas | 370.89 | J/mol×K | 772.37 | Joback Calculated Property |
| Cp,gas | 379.10 | J/mol×K | 806.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(o-Toluidino)-1-propanol.
Sources
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