- InChI
- InChI=1S/C9H21N/c1-8(2)5-6-10-7-9(3)4/h8-10H,5-7H2,1-4H3
- InChI Key
- GWMSJUSASQVTDR-UHFFFAOYSA-N
- Formula
- C9H21N
- SMILES
- CC(C)CCNCC(C)C
- Molecular Weight1
- 143.27
- 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).
- 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 | 0.4817 | Relay (1.0) Calculated Property | |
| ΔfG° | 109.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 147.650 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Inp | 957.00 | NIST | |
| Tboil | 430.81 | K | Relay (1.0) Calculated Property |
| Tc | 594.29 | K | Relay (1.0) Calculated Property |
| Tfus | 201.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.97; 406.11] | J/mol×K | [454.81; 629.50] | 
|
| Cp,gas | 322.97 | J/mol×K | 454.81 | Joback Calculated Property |
| Cp,gas | 338.33 | J/mol×K | 483.92 | Joback Calculated Property |
| Cp,gas | 353.07 | J/mol×K | 513.04 | Joback Calculated Property |
| Cp,gas | 367.20 | J/mol×K | 542.15 | Joback Calculated Property |
| Cp,gas | 380.74 | J/mol×K | 571.27 | Joback Calculated Property |
| Cp,gas | 393.71 | J/mol×K | 600.38 | Joback Calculated Property |
| Cp,gas | 406.11 | J/mol×K | 629.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, 3-methyl, N-(2-methylpropyl).
Sources
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