- InChI
- InChI=1S/C5H11NO2/c6-5(8)3-1-2-4-7/h7H,1-4H2,(H2,6,8)
- InChI Key
- UYOWQFWKDDJSLV-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- NC(=O)CCCCO
- Molecular Weight1
- 117.15
- CAS
- 29686-12-2
- Other Names
-
- Valeramide, 5-hydroxy-
- «delta»-Hydroxyvaleramide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -490.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.366 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| Tboil | 529.07 | K | Relay (1.0) Calculated Property |
| Tc | 767.63 | K | Relay (1.0) Calculated Property |
| Tfus | 333.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.35; 320.94] | 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 | 1.74840e+01 | |||
| Coefficient B | 5.46700e-01 | |||
| Coefficient C | -3.03300e-04 | |||
| Coefficient D | 6.00600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 202.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 226.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 283.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 298.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 310.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, 5-hydroxy-.
Sources
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