- InChI
- InChI=1S/C10H17NO2/c1-2-3-4-5-6-9-13-10(12)7-8-11/h2-7,9H2,1H3
- InChI Key
- SJDCJXRWNRXTNZ-UHFFFAOYSA-N
- Formula
- C10H17NO2
- SMILES
- CCCCCCCOC(=O)CC#N
- Molecular Weight1
- 183.25
- 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 | 0.6898 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.414 | Crippen Calculated Property | |
| McVol | 160.580 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | 1448.00 | NIST | |
| Tboil | 547.95 | K | Relay (1.0) Calculated Property |
| Tc | 721.99 | K | Relay (1.0) Calculated Property |
| Tfus | 309.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.48; 469.27] | J/mol×K | [606.57; 794.85] | 
|
| Cp,gas | 403.48 | J/mol×K | 606.57 | Joback Calculated Property |
| Cp,gas | 415.84 | J/mol×K | 637.95 | Joback Calculated Property |
| Cp,gas | 427.63 | J/mol×K | 669.33 | Joback Calculated Property |
| Cp,gas | 438.86 | J/mol×K | 700.71 | Joback Calculated Property |
| Cp,gas | 449.54 | J/mol×K | 732.09 | Joback Calculated Property |
| Cp,gas | 459.68 | J/mol×K | 763.47 | Joback Calculated Property |
| Cp,gas | 469.27 | J/mol×K | 794.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, heptyl ester.
Sources
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