- InChI
- InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i/hD
- InChI Key
- HPNMFZURTQLUMO-DYCDLGHISA-N
- Formula
- C4H10DN
- SMILES
- CCNCC
- Molecular Weight1
- 74.14
- CAS
- 997-11-5
- 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).
- 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 | 0.3080 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -69.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 ± 0.01 | eV | NIST |
| logPoct/wat | 0.616 | Crippen Calculated Property | |
| McVol | 77.200 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 327.44 | K | Relay (1.0) Calculated Property |
| Tc | 489.31 | K | Relay (1.0) Calculated Property |
| Tfus | 198.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.293 | 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 | [128.68; 176.25] | J/mol×K | [341.29; 511.65] | 
|
| Cp,gas | 128.68 | J/mol×K | 341.29 | Joback Calculated Property |
| Cp,gas | 137.35 | J/mol×K | 369.68 | Joback Calculated Property |
| Cp,gas | 145.72 | J/mol×K | 398.08 | Joback Calculated Property |
| Cp,gas | 153.79 | J/mol×K | 426.47 | Joback Calculated Property |
| Cp,gas | 161.56 | J/mol×K | 454.86 | Joback Calculated Property |
| Cp,gas | 169.04 | J/mol×K | 483.26 | Joback Calculated Property |
| Cp,gas | 176.25 | J/mol×K | 511.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylamine N-d1.
Sources
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