- InChI
- InChI=1S/C9H17NO/c1-10-9(11)7-6-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11)
- InChI Key
- XZWUEMNZTBFKMI-UHFFFAOYSA-N
- Formula
- C9H17NO
- SMILES
- CNC(=O)CCC1CCCC1
- Molecular Weight1
- 155.24
- 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.
- 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 | 0.4989 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 138.360 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | [1480.00; 1480.00] |
|
|
| Inp | 1480.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Tboil | 514.89 | K | Relay (1.0) Calculated Property |
| Tc | 745.47 | K | Relay (1.0) Calculated Property |
| Tfus | 279.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.29; 492.85] | 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 | -5.96280e+01 | |||
| Coefficient B | 1.03872e+00 | |||
| Coefficient C | -6.23100e-04 | |||
| Coefficient D | 1.36860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 328.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 367.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 400.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 429.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 453.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 492.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-cyclopentyl-N-methyl-.
Sources
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