- InChI
- InChI=1S/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-16-13(15)10-11-14/h2-10,12H2,1H3
- InChI Key
- FEPOSCQQECTWHH-UHFFFAOYSA-N
- Formula
- C13H23NO2
- SMILES
- CCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 225.33
- 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 | 0.7963 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.584 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Pc | 1672.79 | kPa | Joback Calculated Property |
| Inp | [1748.00; 1748.00] |
|
|
| Inp | 1748.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Tboil | 580.49 | K | Relay (1.0) Calculated Property |
| Tc | 762.78 | K | Relay (1.0) Calculated Property |
| Tfus | 326.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.07; 631.48] | J/mol×K | [675.21; 858.85] |
|
| Cp,gas | 556.07 | J/mol×K | 675.21 | Joback Calculated Property |
| Cp,gas | 570.32 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 583.88 | J/mol×K | 736.42 | Joback Calculated Property |
| Cp,gas | 596.76 | J/mol×K | 767.03 | Joback Calculated Property |
| Cp,gas | 608.98 | J/mol×K | 797.64 | Joback Calculated Property |
| Cp,gas | 620.55 | J/mol×K | 828.24 | Joback Calculated Property |
| Cp,gas | 631.48 | J/mol×K | 858.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, decyl ester.
Sources
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