- InChI
- InChI=1S/CH3BO/c2-1-3/h2H3
- InChI Key
- ZJUVLBOEAXFSHP-UHFFFAOYSA-N
- Formula
- CH3BO
- SMILES
- [BH3-]C#[O+]
- Molecular Weight1
- 41.84
- CAS
- 13205-44-2
- Other Names
-
- BH3CO
- Borane, compd. with carbon monoxide (1:1)
- Borane-carbon monoxide (1:1)
- Borine carbonyl (BH3CO)
- Boron, carbonyltrihydro-
- Boron, carbonyltrihydro-, (T-4)-
- Carbon monoxide-borane
- 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 | 0.2179 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -87.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 28.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.14; 11.92] | eV |
|
| IE | 11.14 ± 0.02 | eV | NIST |
| IE | 11.92 ± 0.02 | eV | NIST |
| log10WS | 0.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.301 | Crippen Calculated Property | |
| Pc | 4862.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 292.30 | K | Relay (1.0) Calculated Property |
| Tc | 400.94 | K | Relay (1.0) Calculated Property |
| Tfus | 251.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.136 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 19.70 | kJ/mol | 171.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.66] | kPa | [149.15; 222.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64002e+01 | |||
| Coefficient B | -2.51030e+03 | |||
| Coefficient C | 3.91400e+00 | |||
| Temperature range, min. | 149.15 | |||
| Temperature range, max. | 222.47 | |||
| Pvap | 1.00 | kPa | 149.15 | Calculated Property |
| Pvap | 2.29 | kPa | 157.30 | Calculated Property |
| Pvap | 4.84 | kPa | 165.44 | Calculated Property |
| Pvap | 9.56 | kPa | 173.59 | Calculated Property |
| Pvap | 17.79 | kPa | 181.74 | Calculated Property |
| Pvap | 31.41 | kPa | 189.88 | Calculated Property |
| Pvap | 52.96 | kPa | 198.03 | Calculated Property |
| Pvap | 85.76 | kPa | 206.18 | Calculated Property |
| Pvap | 133.97 | kPa | 214.32 | Calculated Property |
| Pvap | 202.66 | kPa | 222.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Borane carbonyl.
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
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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