- InChI
- InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2
- InChI Key
- CLVBVRODHJFTGF-UHFFFAOYSA-N
- Formula
- C7H12N2
- SMILES
- N#CCN1CCCCC1
- Molecular Weight1
- 124.18
- CAS
- 3010-03-5
- Other Names
-
- 1-Piperidinoacetonitrile
- Acetonitrile, piperidino-
- N-Piperidinoacetonitrile
- Piperidinoacetonitrile
- Piperidoacetonitrile
- N-Cyanomethylpiperidine
- piperidine-1-acetonitrile
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4478.90 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | 83.00 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | 9.40 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 56.02 ± 0.49 | kJ/mol | NIST |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 0.996 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.57 | kJ/mol | 293.20 | NIST |
| ΔvapH | 56.00 ± 0.50 | kJ/mol | 320.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Piperidineacetonitrile.
Sources
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