- InChI
- InChI=1S/C4H11N3/c1-6-4(5)7(2)3/h1-3H3,(H2,5,6)
- InChI Key
- NQOFYFRKWDXGJP-UHFFFAOYSA-N
- Formula
- C4H11N3
- SMILES
- CNC(=N)N(C)C
- Molecular Weight1
- 101.15
- CAS
- 31081-41-1
- 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).
- 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).
- 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 | 0.5429 | Relay (1.0) Calculated Property | |
| ΔfG° | 386.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 ± 0.05 | eV | NIST |
| log10WS | 0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.298 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 5114.74 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 521.67 | K | Relay (1.0) Calculated Property |
| Tc | 664.09 | K | Relay (1.0) Calculated Property |
| Tfus | 378.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [30.55; 188.34] | J/mol×K | [100.12; 437.87] | 
|
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 30.55 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 188.34 | J/mol×K | 437.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N,N'-Trimethylguanidine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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