- InChI
- InChI=1S/C8H17N2O2P/c1-4-5-6-7-12-13(11,8-9)10(2)3/h4-7H2,1-3H3
- InChI Key
- KRZMSMZGUOEPSX-UHFFFAOYSA-N
- Formula
- C8H17N2O2P
- SMILES
- CCCCCOP(=O)(C#N)N(C)C
- Molecular Weight1
- 204.21
- CAS
- 148461-87-4
- ω : Acentric Factor.
- 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).
- 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 | 0.5826 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -274.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.429 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2170.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1411.80; 1412.00] |
|
|
| Inp | 1412.00 | NIST | |
| Inp | 1411.80 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1411.80 | NIST | |
| Tboil | 495.89 | K | Relay (1.0) Calculated Property |
| Tc | 682.41 | K | Relay (1.0) Calculated Property |
| Tfus | 251.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl N,N-dimethylphosphoramidocyanidate.
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
- McGowan Method
- NIST Webbook
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