- InChI
- InChI=1S/C24H54N3PS/c1-7-13-19-25(20-14-8-2)28(29,26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3
- InChI Key
- MAEYAXJKWCYNNG-UHFFFAOYSA-N
- Formula
- C24H54N3PS
- SMILES
-
CCCCN(CCCC)P(=S)(N(CCCC)CCCC)N
(CCCC)CCCC - Molecular Weight1
- 447.74
- CAS
- 3949-47-1
- 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).
- 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 | 0.9524 | Relay (... Calculated Property | |
| ΔfG° | 390.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -286.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.14 | kJ/mol | Relay (... Calculated Property |
| IE | 6.77 | eV | Relay (... Calculated Property |
| log10WS | -6.27 | Relay (... Calculated Property | |
| logPoct/wat | 7.918 | Crippen Calculated Property | |
| McVol | 415.770 | ml/mol | McGowan Calculated Property |
| Pc | 608.78 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 683.49 | K | Relay (... Calculated Property |
| Tc | 835.72 | K | Relay (... Calculated Property |
| Tfus | 272.92 | K | Relay (... Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Hexabutylthiophosphoramide.
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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