- InChI
- InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
- InChI Key
- LGQXXHMEBUOXRP-UHFFFAOYSA-N
- Formula
- C12H27BO3
- SMILES
- CCCCOB(OCCCC)OCCCC
- Molecular Weight1
- 230.15
- CAS
- 688-74-4
- Other Names
-
- (n-C4H9O)3B
- Borane, tributoxy-
- Borester 2
- Boric acid (H3BO3), tributyl ester
- Boric acid tri-n-butyl ester
- Boric acid, tributyl ester
- Boron tributoxide
- Butyl borate
- Butyl borate, (BuO)3B
- Butyl borate, tri-
- NSC 779
- Tri-n-butoxyborane
- Tri-n-butyl borate
- Tributoxyborane
- Tributoxyboron
- Tributyl orthoborate
- Tributylester kyseliny borite
- Tris(butoxy)borane
- n-Butyl borate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.7379 | Relay (1.0) Calculated Property | |
| ΔfG° | -330.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -862.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.72 ± 0.74 | eV | NIST |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| Pc | 1867.86 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 495.63 | K | Relay (1.0) Calculated Property |
| Tc | 659.18 | K | Relay (1.0) Calculated Property |
| Tfus | 203.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.824 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [55.90; 58.10] | kJ/mol | [440.50; 442.00] | 
|
| ΔvapH | 55.90 | kJ/mol | 440.50 | NIST |
| ΔvapH | 58.10 | kJ/mol | 442.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.94; 65.58] | kPa | [390.00; 490.90] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.71819e+01 | |||
| Coefficient B | -6.15512e+03 | |||
| Coefficient C | -1.73780e+01 | |||
| Reference | Christopher and Shilman, 1967 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 390.00 | |||
| Temperature range, max. | 490.90 | |||
| Pvap | 1.94 | kPa | 390.00 | Calculated Property |
| Pvap | 3.15 | kPa | 401.21 | Calculated Property |
| Pvap | 4.96 | kPa | 412.42 | Calculated Property |
| Pvap | 7.62 | kPa | 423.63 | Calculated Property |
| Pvap | 11.45 | kPa | 434.84 | Calculated Property |
| Pvap | 16.84 | kPa | 446.06 | Calculated Property |
| Pvap | 24.27 | kPa | 457.27 | Calculated Property |
| Pvap | 34.37 | kPa | 468.48 | Calculated Property |
| Pvap | 47.85 | kPa | 479.69 | Calculated Property |
| Pvap | 65.58 | kPa | 490.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Tributyl borate.
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).
- 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
- NIST Webbook
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