- InChI
- InChI=1S/C27H52O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(28)26(3)5-2/h5H,4,6-25H2,1-3H3/b26-5+
- InChI Key
- ZBTJCBFSOLLYFO-MBAGFTIUSA-N
- Formula
- C27H52O2
- SMILES
-
CC=C(C)C(=O)OCCCCCCCCCCCCCCCCC
CCCCC - Molecular Weight1
- 408.70
- 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 | 1.1591 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.318 | Crippen Calculated Property | |
| McVol | 394.430 | ml/mol | McGowan Calculated Property |
| Pc | 727.70 | kPa | Joback Calculated Property |
| Inp | [2981.00; 2981.00] |
|
|
| Inp | 2981.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 636.91 | K | Relay (1.0) Calculated Property |
| Tc | 828.63 | K | Relay (1.0) Calculated Property |
| Tfus | 312.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.525 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1323.65; 1442.47] | J/mol×K | [897.49; 1100.54] |
|
| Cp,gas | 1323.65 | J/mol×K | 897.49 | Joback Calculated Property |
| Cp,gas | 1346.52 | J/mol×K | 931.33 | Joback Calculated Property |
| Cp,gas | 1368.07 | J/mol×K | 965.17 | Joback Calculated Property |
| Cp,gas | 1388.38 | J/mol×K | 999.01 | Joback Calculated Property |
| Cp,gas | 1407.50 | J/mol×K | 1032.85 | Joback Calculated Property |
| Cp,gas | 1425.51 | J/mol×K | 1066.69 | Joback Calculated Property |
| Cp,gas | 1442.47 | J/mol×K | 1100.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl (E)-2-methylbut-2-enoate.
Sources
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