- InChI
- InChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10)
- InChI Key
- OINOJHHVQJESIB-UHFFFAOYSA-N
- Formula
- C7H12ClNO2
- SMILES
- O=C(CCl)NCC1CCCO1
- Molecular Weight1
- 177.63
- 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 | -429.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.520 | Crippen Calculated Property | |
| McVol | 128.290 | ml/mol | McGowan Calculated Property |
| Inp | [1379.00; 1379.00] |
|
|
| Inp | 1379.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Tboil | 544.25 | K | Relay (1.0) Calculated Property |
| Tfus | 286.16 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.08; 368.51] | J/mol×K | [543.46; 757.15] |
|
| Cp,gas | 300.08 | J/mol×K | 543.46 | Joback Calculated Property |
| Cp,gas | 313.44 | J/mol×K | 579.08 | Joback Calculated Property |
| Cp,gas | 325.97 | J/mol×K | 614.69 | Joback Calculated Property |
| Cp,gas | 337.72 | J/mol×K | 650.31 | Joback Calculated Property |
| Cp,gas | 348.70 | J/mol×K | 685.92 | Joback Calculated Property |
| Cp,gas | 358.96 | J/mol×K | 721.54 | Joback Calculated Property |
| Cp,gas | 368.51 | J/mol×K | 757.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-tetrahydrofurfuryl-2-chloro-.
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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