- InChI
- InChI=1S/C12H27NO/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h14H,3-12H2,1-2H3
- InChI Key
- WTFHNNKAJBKQSG-UHFFFAOYSA-N
- Formula
- C12H27NO
- SMILES
- CCCCN(CCCC)CCCCO
- Molecular Weight1
- 201.35
- CAS
- 41788-34-5
- 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).
- 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° | 24.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 195.790 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Tboil | 578.58 | K | Joback Calculated Property |
| Tc | 735.71 | K | Joback Calculated Property |
| Tfus | 318.29 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.94; 597.62] | J/mol×K | [578.58; 735.71] | 
|
| Cp,gas | 515.94 | J/mol×K | 578.58 | Joback Calculated Property |
| Cp,gas | 531.02 | J/mol×K | 604.77 | Joback Calculated Property |
| Cp,gas | 545.50 | J/mol×K | 630.96 | Joback Calculated Property |
| Cp,gas | 559.37 | J/mol×K | 657.14 | Joback Calculated Property |
| Cp,gas | 572.67 | J/mol×K | 683.33 | Joback Calculated Property |
| Cp,gas | 585.42 | J/mol×K | 709.52 | Joback Calculated Property |
| Cp,gas | 597.62 | J/mol×K | 735.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-di-n-Butylaminobutanol-1.
Sources
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