- InChI
- InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
- InChI Key
- XTTGYFREQJCEML-UHFFFAOYSA-N
- Formula
- C12H27O3P
- SMILES
- CCCCOP(OCCCC)OCCCC
- Molecular Weight1
- 250.31
- CAS
- 102-85-2
- Other Names
-
- 1-Butanol, 1,1',1''-phosphinidynetri-
- Butyl phosphite
- Butyl phosphite ((C4H9O)3P)
- JP 304
- NSC 2675
- Phosphorus tributoxide (P(OBu)3)
- Syn-O-Ad P-312
- Tri-n-butyl phosphite
- Tributoxyphosphine
- Tributyl phosphite
- Tributylfosfit
- 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).
- γ : Surface Tension (N/m).
- 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° | -169.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -662.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 ± 0.05 | eV | NIST |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.663 | Crippen Calculated Property | |
| McVol | 218.010 | ml/mol | McGowan Calculated Property |
| Pc | 1864.46 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 523.99 | K | Relay (1.0) Calculated Property |
| Tc | 678.57 | K | Relay (1.0) Calculated Property |
| Tfus | 193.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.851 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.02] | N/m | [193.15; 398.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.11975e-02 | |||
| Coefficient B | -8.65000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 193.15 | |||
| Temperature range, max. | 398.15 | |||
| γ | 0.03 | N/m | 193.15 | Calculated Property |
| γ | 0.03 | N/m | 215.93 | Calculated Property |
| γ | 0.03 | N/m | 238.71 | Calculated Property |
| γ | 0.03 | N/m | 261.48 | Calculated Property |
| γ | 0.03 | N/m | 284.26 | Calculated Property |
| γ | 0.02 | N/m | 307.04 | Calculated Property |
| γ | 0.02 | N/m | 329.82 | Calculated Property |
| γ | 0.02 | N/m | 352.59 | Calculated Property |
| γ | 0.02 | N/m | 375.37 | Calculated Property |
| γ | 0.02 | N/m | 398.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Phosphorous acid, tributyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- 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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