- InChI
- InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
- InChI Key
- IXHBTMCLRNMKHZ-LBPRGKRZSA-N
- Formula
- C17H25NO3
- SMILES
-
CC(C)(C)NCC(O)COc1cccc2c1CCCC2
=O - Molecular Weight1
- 291.39
- CAS
- 27591-01-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -32.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 2.333 | Crippen Calculated Property | |
| McVol | 239.060 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | 2352.00 | NIST | |
| Tboil | 869.60 | K | Joback Calculated Property |
| Tc | 1088.20 | K | Joback Calculated Property |
| Tfus | 542.82 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.65; 846.61] | J/mol×K | [869.60; 1088.20] | 
|
| Cp,gas | 774.65 | J/mol×K | 869.60 | Joback Calculated Property |
| Cp,gas | 789.21 | J/mol×K | 906.03 | Joback Calculated Property |
| Cp,gas | 802.67 | J/mol×K | 942.47 | Joback Calculated Property |
| Cp,gas | 815.09 | J/mol×K | 978.90 | Joback Calculated Property |
| Cp,gas | 826.51 | J/mol×K | 1015.33 | Joback Calculated Property |
| Cp,gas | 837.00 | J/mol×K | 1051.77 | Joback Calculated Property |
| Cp,gas | 846.61 | J/mol×K | 1088.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bunolol.
Sources
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