- InChI
- InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
- InChI Key
- HLCSDJLATUNSSI-YFHOEESVSA-N
- Formula
- C10H15N
- SMILES
- CC(C)=CCCC(C)=CC#N
- Molecular Weight1
- 149.23
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 309.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 130.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.203 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1227.00; 1227.00] |
|
|
| Inp | 1227.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Tboil | 538.36 | K | Joback Calculated Property |
| Tc | 742.94 | K | Joback Calculated Property |
| Tfus | 229.37 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.39; 389.75] | J/mol×K | [538.36; 742.94] |
|
| Cp,gas | 322.39 | J/mol×K | 538.36 | Joback Calculated Property |
| Cp,gas | 335.31 | J/mol×K | 572.46 | Joback Calculated Property |
| Cp,gas | 347.49 | J/mol×K | 606.55 | Joback Calculated Property |
| Cp,gas | 358.97 | J/mol×K | 640.65 | Joback Calculated Property |
| Cp,gas | 369.81 | J/mol×K | 674.75 | Joback Calculated Property |
| Cp,gas | 380.06 | J/mol×K | 708.84 | Joback Calculated Property |
| Cp,gas | 389.75 | J/mol×K | 742.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neryl nitrile.
Sources
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