- InChI
- InChI=1S/C7H13NO/c1-7(2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
- InChI Key
- KLXFVGBJERPUNU-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CC1(C)CC(C(N)=O)C1
- Molecular Weight1
- 127.18
- CAS
- 89894-97-3
- 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).
- 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° | -18.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.19 | kJ/mol | Joback Calculated Property |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 0.908 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3891.64 | kPa | Joback Calculated Property |
| Tboil | 492.54 | K | Joback Calculated Property |
| Tc | 713.46 | K | Joback Calculated Property |
| Tfus | 335.92 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.25; 326.91] | J/mol×K | [492.54; 713.46] | 
|
| Cp,gas | 256.25 | J/mol×K | 492.54 | Joback Calculated Property |
| Cp,gas | 270.17 | J/mol×K | 529.36 | Joback Calculated Property |
| Cp,gas | 283.06 | J/mol×K | 566.18 | Joback Calculated Property |
| Cp,gas | 295.06 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 306.29 | J/mol×K | 639.82 | Joback Calculated Property |
| Cp,gas | 316.86 | J/mol×K | 676.64 | Joback Calculated Property |
| Cp,gas | 326.91 | J/mol×K | 713.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutane carboxamide, 3,3-dimethyl.
Sources
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