- InChI
- InChI=1S/C11H13NO/c1-12(10-7-8-10)11(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
- InChI Key
- YJGOXHXGSNBHRI-UHFFFAOYSA-N
- Formula
- C11H13NO
- SMILES
- CN(C(=O)c1ccccc1)C1CC1
- Molecular Weight1
- 175.23
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.4840 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.921 | Crippen Calculated Property | |
| McVol | 142.780 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1551.89; 1590.59] |
|
|
| Inp | 1551.89 | NIST | |
| Inp | 1563.80 | NIST | |
| Inp | 1578.45 | NIST | |
| Inp | 1590.59 | NIST | |
| I | [2529.45; 2553.51] |
|
|
| I | 2529.45 | NIST | |
| I | 2541.26 | NIST | |
| I | 2553.51 | NIST | |
| Tboil | 563.36 | K | Relay (1.0) Calculated Property |
| Tc | 784.65 | K | Relay (1.0) Calculated Property |
| Tfus | 278.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.57; 475.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.45900e+01 | |||
| Coefficient B | 1.21672e+00 | |||
| Coefficient C | -9.19900e-04 | |||
| Coefficient D | 2.72860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 282.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 361.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 392.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 417.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 458.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.09 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-cyclopropyl-N-methyl-benzamide.
Sources
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