- InChI
- InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
- InChI Key
- SLZWBCGZQRRUNG-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
-
CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(
C)C)c1 - Molecular Weight1
- 263.38
- ω : Acentric Factor.
- 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).
- 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 | 0.7142 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.24; -4.24] |
|
|
| log10WS | -4.24 | Aq. Solubility Prediction | |
| log10WS | -4.24 | Estimated Solubility | |
| logPoct/wat | 4.000 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Tboil | 553.84 | K | Relay (1.0) Calculated Property |
| Tc | 822.19 | K | Relay (1.0) Calculated Property |
| Tfus | 370.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.84; 749.00] | J/mol×K | [722.12; 939.01] |
|
| Cp,gas | 661.84 | J/mol×K | 722.12 | Joback Calculated Property |
| Cp,gas | 679.07 | J/mol×K | 758.27 | Joback Calculated Property |
| Cp,gas | 695.12 | J/mol×K | 794.42 | Joback Calculated Property |
| Cp,gas | 710.07 | J/mol×K | 830.57 | Joback Calculated Property |
| Cp,gas | 723.98 | J/mol×K | 866.72 | Joback Calculated Property |
| Cp,gas | 736.94 | J/mol×K | 902.86 | Joback Calculated Property |
| Cp,gas | 749.00 | J/mol×K | 939.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butacarb.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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