- InChI
- InChI=1S/C8H17N/c1-4-6-9-7-5-8(2)3/h4,8-9H,1,5-7H2,2-3H3
- InChI Key
- ATPUSBMSUZPBCH-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- C=CCNCCC(C)C
- Molecular Weight1
- 127.23
- 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 | 0.3923 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.808 | Crippen Calculated Property | |
| McVol | 129.260 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Inp | [900.00; 900.00] |
|
|
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Tboil | 419.56 | K | Relay (1.0) Calculated Property |
| Tc | 579.64 | K | Relay (1.0) Calculated Property |
| Tfus | 183.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.32; 335.95] | J/mol×K | [428.85; 604.40] |
|
| Cp,gas | 263.32 | J/mol×K | 428.85 | Joback Calculated Property |
| Cp,gas | 276.80 | J/mol×K | 458.11 | Joback Calculated Property |
| Cp,gas | 289.70 | J/mol×K | 487.37 | Joback Calculated Property |
| Cp,gas | 302.05 | J/mol×K | 516.62 | Joback Calculated Property |
| Cp,gas | 313.87 | J/mol×K | 545.88 | Joback Calculated Property |
| Cp,gas | 325.16 | J/mol×K | 575.14 | Joback Calculated Property |
| Cp,gas | 335.95 | J/mol×K | 604.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanaine, 3-methyl, N-(2-propenyl).
Sources
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