- InChI
- InChI=1S/C42H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-41H2,1-2H3/b19-17-,20-18-
- InChI Key
- DKBUFWAUOWRWQE-CLFAGFIQSA-N
- Formula
- C42H80O2
- SMILES
-
CCCCCCCCC=CCCCCCCCCCCCCOC(=O)C
CCCCCCCCC=CCCCCCCCC - Molecular Weight1
- 617.08
- CAS
- 93036-93-2
- 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 | 1.5924 | Relay (... Calculated Property | |
| ΔfG° | 229.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1129.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 107.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 185.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -12.30 | Relay (... Calculated Property | |
| logPoct/wat | 14.945 | Crippen Calculated Property | |
| McVol | 601.480 | ml/mol | McGowan Calculated Property |
| Pc | 384.47 | kPa | Joback Calculated Property |
| Inp | [5018.30; 5018.30] |
|
|
| Inp | 5018.30 | NIST | |
| Inp | 5018.30 | NIST | |
| Tboil | 742.04 | K | Relay (... Calculated Property |
| Tc | 917.20 | K | Relay (... Calculated Property |
| Tfus | 310.57 | K | Relay (... Calculated Property |
| Vc | 2.271 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2317.06; 2601.58] | J/mol×K | [1244.97; 1732.83] |
|
| Cp,gas | 2317.06 | J/mol×K | 1244.97 | Joback Calculated Property |
| Cp,gas | 2366.55 | J/mol×K | 1326.28 | Joback Calculated Property |
| Cp,gas | 2412.98 | J/mol×K | 1407.59 | Joback Calculated Property |
| Cp,gas | 2458.02 | J/mol×K | 1488.90 | Joback Calculated Property |
| Cp,gas | 2503.35 | J/mol×K | 1570.21 | Joback Calculated Property |
| Cp,gas | 2550.65 | J/mol×K | 1651.52 | Joback Calculated Property |
| Cp,gas | 2601.58 | J/mol×K | 1732.83 | Joback Calculated Property |
| η | [0.0000018; 0.0000714] | Pa×s | [625.10; 1244.97] |
|
| η | 0.0000714 | Pa×s | 625.10 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 728.41 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 831.72 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 935.04 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1038.35 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1141.66 | Joback Calculated Property |
| η | 0.0000018 | Pa×s | 1244.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-(Z)-Docos-13-en-1-yl icos-11-enoate.
Sources
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