- InChI
- InChI=1S/C8H15NO3/c1-11-6-8(10)9-5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,9,10)
- InChI Key
- ZMLJVGQFLGGFRD-UHFFFAOYSA-N
- Formula
- C8H15NO3
- SMILES
- COCC(=O)NCC1CCCO1
- Molecular Weight1
- 173.21
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 | -528.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.072 | Crippen Calculated Property | |
| McVol | 136.010 | ml/mol | McGowan Calculated Property |
| Inp | [1403.00; 1403.00] |
|
|
| Inp | 1403.00 | NIST | |
| Inp | 1403.00 | NIST | |
| Tboil | 539.29 | K | Relay (1.0) Calculated Property |
| Tfus | 300.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [191.84; 479.28] | 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 | -1.58980e+01 | |||
| Coefficient B | 8.77520e-01 | |||
| Coefficient C | -4.43800e-04 | |||
| Coefficient D | 6.14600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 191.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 362.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 393.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 420.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 444.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 463.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 479.28 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, n-tetrahydrofurfuryl-2-methoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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