- InChI
- InChI=1S/C7H15N/c1-3-5-7-8-6-4-2/h4,8H,2-3,5-7H2,1H3
- InChI Key
- SNAUETXKUXDMFB-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- C=CCNCCCC
- Molecular Weight1
- 113.20
- 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° | 185.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.562 | Crippen Calculated Property | |
| McVol | 115.170 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [837.00; 837.00] |
|
|
| Inp | 837.00 | NIST | |
| Inp | 837.00 | NIST | |
| Tboil | 406.41 | K | Joback Calculated Property |
| Tc | 579.08 | K | Joback Calculated Property |
| Tfus | 219.55 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.92; 287.90] | J/mol×K | [406.41; 579.08] |
|
| Cp,gas | 222.92 | J/mol×K | 406.41 | Joback Calculated Property |
| Cp,gas | 234.93 | J/mol×K | 435.19 | Joback Calculated Property |
| Cp,gas | 246.46 | J/mol×K | 463.97 | Joback Calculated Property |
| Cp,gas | 257.50 | J/mol×K | 492.75 | Joback Calculated Property |
| Cp,gas | 268.08 | J/mol×K | 521.52 | Joback Calculated Property |
| Cp,gas | 278.21 | J/mol×K | 550.30 | Joback Calculated Property |
| Cp,gas | 287.90 | J/mol×K | 579.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to allyl-n-butyl-amine.
Sources
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