- InChI
- InChI=1S/C13H17NO2/c15-13(9-11-5-2-1-3-6-11)14-10-12-7-4-8-16-12/h1-3,5-6,12H,4,7-10H2,(H,14,15)
- InChI Key
- GLRRFYMIFNCWSD-UHFFFAOYSA-N
- Formula
- C13H17NO2
- SMILES
- O=C(Cc1ccccc1)NCC1CCCO1
- 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° | 81.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 1.524 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [1858.00; 1858.00] |
|
|
| Inp | 1858.00 | NIST | |
| Inp | 1858.00 | NIST | |
| Tboil | 669.79 | K | Joback Calculated Property |
| Tc | 900.30 | K | Joback Calculated Property |
| Tfus | 402.75 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.09; 575.10] | J/mol×K | [669.79; 900.30] |
|
| Cp,gas | 491.09 | J/mol×K | 669.79 | Joback Calculated Property |
| Cp,gas | 508.04 | J/mol×K | 708.21 | Joback Calculated Property |
| Cp,gas | 523.72 | J/mol×K | 746.63 | Joback Calculated Property |
| Cp,gas | 538.19 | J/mol×K | 785.05 | Joback Calculated Property |
| Cp,gas | 551.54 | J/mol×K | 823.47 | Joback Calculated Property |
| Cp,gas | 563.81 | J/mol×K | 861.88 | Joback Calculated Property |
| Cp,gas | 575.10 | J/mol×K | 900.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-tetrahydrofurfuryl-2-phenyl-.
Sources
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