- InChI
- InChI=1S/C13H17NO2/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)
- InChI Key
- BCCAVMYIIFGHBH-UHFFFAOYSA-N
- Formula
- C13H17NO2
- SMILES
- Cc1ccc(C(=O)NCC2CCCO2)cc1
- Molecular Weight1
- 219.28
- 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° | 72.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Inp | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 674.77 | K | Joback Calculated Property |
| Tc | 906.14 | K | Joback Calculated Property |
| Tfus | 415.27 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.40; 573.65] | J/mol×K | [674.77; 906.14] |
|
| Cp,gas | 490.40 | J/mol×K | 674.77 | Joback Calculated Property |
| Cp,gas | 507.14 | J/mol×K | 713.33 | Joback Calculated Property |
| Cp,gas | 522.66 | J/mol×K | 751.89 | Joback Calculated Property |
| Cp,gas | 537.01 | J/mol×K | 790.46 | Joback Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 829.02 | Joback Calculated Property |
| Cp,gas | 562.44 | J/mol×K | 867.58 | Joback Calculated Property |
| Cp,gas | 573.65 | J/mol×K | 906.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-4-methyl-.
Sources
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