- InChI
- InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(3)5-2/h5H,4,6-16H2,1-3H3/b17-5+
- InChI Key
- NJKUPEIXLOEABR-YAXRCOADSA-N
- Formula
- C18H34O2
- SMILES
- CC=C(C)C(=O)OCCCCCCCCCCCCC
- Molecular Weight1
- 282.46
- 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 | 0.8425 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.807 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | 2031.00 | NIST | |
| Tboil | 575.38 | K | Relay (1.0) Calculated Property |
| Tc | 761.36 | K | Relay (1.0) Calculated Property |
| Tfus | 277.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.67; 866.35] | J/mol×K | [691.57; 865.71] | 
|
| Cp,gas | 767.67 | J/mol×K | 691.57 | Joback Calculated Property |
| Cp,gas | 786.15 | J/mol×K | 720.59 | Joback Calculated Property |
| Cp,gas | 803.78 | J/mol×K | 749.62 | Joback Calculated Property |
| Cp,gas | 820.59 | J/mol×K | 778.64 | Joback Calculated Property |
| Cp,gas | 836.60 | J/mol×K | 807.66 | Joback Calculated Property |
| Cp,gas | 851.84 | J/mol×K | 836.68 | Joback Calculated Property |
| Cp,gas | 866.35 | J/mol×K | 865.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tridecyl (E)-2-methylbut-2-enoate.
Sources
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