- InChI
- InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5+
- InChI Key
- NIOMGUSCYSQFTC-WLRTZDKTSA-N
- Formula
- C14H26O2
- SMILES
- CC=C(C)C(=O)OCCCCCCCCC
- Molecular Weight1
- 226.35
- 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° | -95.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | 1628.00 | NIST | |
| Tboil | 600.05 | K | Joback Calculated Property |
| Tc | 776.39 | K | Joback Calculated Property |
| Tfus | 300.66 | K | Joback Calculated Property |
| Vc | 0.825 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.21; 636.81] | J/mol×K | [600.05; 776.39] | 
|
| Cp,gas | 547.21 | J/mol×K | 600.05 | Joback Calculated Property |
| Cp,gas | 563.92 | J/mol×K | 629.44 | Joback Calculated Property |
| Cp,gas | 579.89 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 595.14 | J/mol×K | 688.22 | Joback Calculated Property |
| Cp,gas | 609.70 | J/mol×K | 717.61 | Joback Calculated Property |
| Cp,gas | 623.58 | J/mol×K | 747.00 | Joback Calculated Property |
| Cp,gas | 636.81 | J/mol×K | 776.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonyl (E)-2-methylbut-2-enoate.
Sources
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