- InChI
- InChI=1S/C9H21NO/c1-5-6-10(9(2)3)7-8-11-4/h9H,5-8H2,1-4H3
- InChI Key
- ZZCCSJGBKSBOII-UHFFFAOYSA-N
- Formula
- C9H21NO
- SMILES
- CCCN(CCOC)C(C)C
- Molecular Weight1
- 159.27
- 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° | 28.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.753 | Crippen Calculated Property | |
| McVol | 153.520 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | [1033.74; 1033.74] |
|
|
| Inp | 1033.74 | NIST | |
| Inp | 1033.74 | NIST | |
| Tboil | 439.74 | K | Joback Calculated Property |
| Tc | 605.23 | K | Joback Calculated Property |
| Tfus | 230.89 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.44; 412.87] | J/mol×K | [439.74; 605.23] |
|
| Cp,gas | 330.44 | J/mol×K | 439.74 | Joback Calculated Property |
| Cp,gas | 345.52 | J/mol×K | 467.32 | Joback Calculated Property |
| Cp,gas | 360.05 | J/mol×K | 494.90 | Joback Calculated Property |
| Cp,gas | 374.04 | J/mol×K | 522.49 | Joback Calculated Property |
| Cp,gas | 387.50 | J/mol×K | 550.07 | Joback Calculated Property |
| Cp,gas | 400.44 | J/mol×K | 577.65 | Joback Calculated Property |
| Cp,gas | 412.87 | J/mol×K | 605.23 | Joback Calculated Property |
Similar Compounds
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Sources
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