- InChI
- InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h13,15H,3-12,14,16-27H2,1-2H3/b15-13-
- InChI Key
- CDXFYPWJGOODOG-SQFISAMPSA-N
- Formula
- C28H54O2
- SMILES
-
CCCCCCC=CCCCCCCCC(=O)OCCCCCCCC
CCCC - Molecular Weight1
- 422.73
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.1750 | Relay (... Calculated Property | |
| ΔfG° | 31.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.38 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -8.79 | Relay (... Calculated Property | |
| logPoct/wat | 9.708 | Crippen Calculated Property | |
| McVol | 408.520 | ml/mol | McGowan Calculated Property |
| Pc | 689.61 | kPa | Joback Calculated Property |
| Inp | [2931.17; 2931.17] |
|
|
| Inp | 2931.17 | NIST | |
| Inp | 2931.17 | NIST | |
| Tboil | 650.50 | K | Relay (... Calculated Property |
| Tc | 834.21 | K | Relay (... Calculated Property |
| Tfus | 293.48 | K | Relay (... Calculated Property |
| Vc | 1.568 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1389.38; 1511.71] | J/mol×K | [920.49; 1132.10] |
|
| Cp,gas | 1389.38 | J/mol×K | 920.49 | Joback Calculated Property |
| Cp,gas | 1413.09 | J/mol×K | 955.76 | Joback Calculated Property |
| Cp,gas | 1435.36 | J/mol×K | 991.03 | Joback Calculated Property |
| Cp,gas | 1456.28 | J/mol×K | 1026.29 | Joback Calculated Property |
| Cp,gas | 1475.93 | J/mol×K | 1061.56 | Joback Calculated Property |
| Cp,gas | 1494.38 | J/mol×K | 1096.83 | Joback Calculated Property |
| Cp,gas | 1511.71 | J/mol×K | 1132.10 | Joback Calculated Property |
| η | [0.0000201; 0.0005975] | Pa×s | [472.40; 920.49] |
|
| η | 0.0005975 | Pa×s | 472.40 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 547.08 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 621.76 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 696.44 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 771.13 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 845.81 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 920.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadec-9-enoic acid dodecyl ester, Z.
Sources
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