- InChI
- InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
- InChI Key
- ODTQUKVFOLFLIQ-UHFFFAOYSA-N
- Formula
- C13H30O6P2
- SMILES
-
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C
)C)OC(C)C - Molecular Weight1
- 344.32
- CAS
- 1660-95-3
- Other Names
-
- tetra-i-Propylmethylenediphosphonate
- Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester
- Methylenediphosphonic acid tetraisopropyl ester
- Phosphonic acid, methylenedi-, tetraisopropyl ester
- tetraisopropyl methylenebisphosphonate
- 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 | 0.6975 | Relay (1.0) Calculated Property | |
| ΔfG° | -639.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1346.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.030 | Crippen Calculated Property | |
| McVol | 270.170 | ml/mol | McGowan Calculated Property |
| Pc | 1417.21 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 564.20 | K | Relay (1.0) Calculated Property |
| Tc | 713.27 | K | Relay (1.0) Calculated Property |
| Tfus | 259.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.060 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tetraisopropyl methylenediphosphonate.
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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