- InChI
- InChI=1S/C7H17O3P/c1-7(2)5-6-10-11(4,8)9-3/h7H,5-6H2,1-4H3
- InChI Key
- QCVGEMUTTZNUGZ-UHFFFAOYSA-N
- Formula
- C7H17O3P
- SMILES
- COP(C)(=O)OCCC(C)C
- Molecular Weight1
- 180.18
- Other Names
-
- Methylphosphonic acid, 3-methyl-1-butyl, methyl ester
- 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 | 0.4867 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -688.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 147.560 | ml/mol | McGowan Calculated Property |
| Pc | 2426.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 498.37 | K | Relay (1.0) Calculated Property |
| Tc | 634.62 | K | Relay (1.0) Calculated Property |
| Tfus | 207.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylphosphonic acid, methyl-(3-methylbutyl) ester.
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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