- InChI
- InChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-13,15H2,1H3
- InChI Key
- UVWHRPNFBXRAGB-UHFFFAOYSA-N
- Formula
- C16H29NO2
- SMILES
- CCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 267.41
- 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 | 0.9020 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.754 | Crippen Calculated Property | |
| McVol | 245.120 | ml/mol | McGowan Calculated Property |
| Pc | 1338.82 | kPa | Joback Calculated Property |
| Inp | [2051.00; 2051.00] |
|
|
| Inp | 2051.00 | NIST | |
| Inp | 2051.00 | NIST | |
| Tboil | 606.84 | K | Relay (1.0) Calculated Property |
| Tc | 796.90 | K | Relay (1.0) Calculated Property |
| Tfus | 340.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.939 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.73; 803.10] | J/mol×K | [743.85; 926.56] |
|
| Cp,gas | 720.73 | J/mol×K | 743.85 | Joback Calculated Property |
| Cp,gas | 736.40 | J/mol×K | 774.30 | Joback Calculated Property |
| Cp,gas | 751.27 | J/mol×K | 804.75 | Joback Calculated Property |
| Cp,gas | 765.36 | J/mol×K | 835.20 | Joback Calculated Property |
| Cp,gas | 778.68 | J/mol×K | 865.65 | Joback Calculated Property |
| Cp,gas | 791.25 | J/mol×K | 896.11 | Joback Calculated Property |
| Cp,gas | 803.10 | J/mol×K | 926.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, tridecyl ester.
Sources
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