- InChI
- InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3
- InChI Key
- MTDAKBBUYMYKAR-UHFFFAOYSA-N
- Formula
- C10H17N
- SMILES
- CC(C)=CCCC(C)CC#N
- Molecular Weight1
- 151.25
- 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.
- 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 | 0.4718 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.283 | Crippen Calculated Property | |
| McVol | 148.840 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Inp | [1203.70; 1206.80] |
|
|
| Inp | 1203.70 | NIST | |
| Inp | 1206.80 | NIST | |
| Inp | 1203.70 | NIST | |
| Tboil | 501.31 | K | Relay (1.0) Calculated Property |
| Tc | 681.67 | K | Relay (1.0) Calculated Property |
| Tfus | 210.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.42; 413.05] | J/mol×K | [533.88; 730.33] |
|
| Cp,gas | 341.42 | J/mol×K | 533.88 | Joback Calculated Property |
| Cp,gas | 354.99 | J/mol×K | 566.62 | Joback Calculated Property |
| Cp,gas | 367.86 | J/mol×K | 599.36 | Joback Calculated Property |
| Cp,gas | 380.07 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 391.65 | J/mol×K | 664.84 | Joback Calculated Property |
| Cp,gas | 402.63 | J/mol×K | 697.59 | Joback Calculated Property |
| Cp,gas | 413.05 | J/mol×K | 730.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl nitrile.
Sources
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