- InChI
- InChI=1S/C8H15NO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6,9H2,1H3
- InChI Key
- NLLGKNYQDQBMFW-UHFFFAOYSA-N
- Formula
- C8H15NO2
- SMILES
- CCOC(=O)C1(N)CCCC1
- Molecular Weight1
- 157.21
- CAS
- 1664-35-3
- 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 | 0.4784 | Relay (1.0) Calculated Property | |
| ΔfG° | -196.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.821 | Crippen Calculated Property | |
| McVol | 130.140 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1070.00] |
|
|
| Inp | 1045.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1070.00 | NIST | |
| I | [1932.00; 1989.00] |
|
|
| I | 1989.00 | NIST | |
| I | 1932.00 | NIST | |
| I | 1989.00 | NIST | |
| I | 1932.00 | NIST | |
| Tboil | 484.86 | K | Relay (1.0) Calculated Property |
| Tc | 683.35 | K | Relay (1.0) Calculated Property |
| Tfus | 338.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.75; 466.76] | 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 | -8.29590e+01 | |||
| Coefficient B | 1.19452e+00 | |||
| Coefficient C | -1.02020e-03 | |||
| Coefficient D | 3.75400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 274.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 346.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 466.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid.
Sources
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