- InChI
- InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,24H,3-17,19-23,25-39H2,1-2H3/b24-18-
- InChI Key
- QKPJNZCOIFUYNE-MOHJPFBDSA-N
- Formula
- C40H78O2
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC
CCCCCCCCCCCCCCCC - Molecular Weight1
- 591.05
- 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 | 1.5955 | Relay (... Calculated Property | |
| ΔfG° | 132.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 102.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 180.25 | kJ/mol | Relay (... Calculated Property |
| IE | 9.53 | eV | Relay (... Calculated Property |
| log10WS | -12.11 | Relay (... Calculated Property | |
| logPoct/wat | 14.389 | Crippen Calculated Property | |
| McVol | 577.600 | ml/mol | McGowan Calculated Property |
| Pc | 406.48 | kPa | Joback Calculated Property |
| Inp | [4124.07; 4124.07] |
|
|
| Inp | 4124.07 | NIST | |
| Inp | 4124.07 | NIST | |
| Tboil | 725.46 | K | Relay (... Calculated Property |
| Tc | 902.97 | K | Relay (... Calculated Property |
| Tfus | 318.18 | K | Relay (... Calculated Property |
| Vc | 2.222 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2203.01; 2414.11] | J/mol×K | [1195.05; 1628.18] |
|
| Cp,gas | 2203.01 | J/mol×K | 1195.05 | Joback Calculated Property |
| Cp,gas | 2245.29 | J/mol×K | 1267.24 | Joback Calculated Property |
| Cp,gas | 2283.38 | J/mol×K | 1339.43 | Joback Calculated Property |
| Cp,gas | 2318.30 | J/mol×K | 1411.62 | Joback Calculated Property |
| Cp,gas | 2351.05 | J/mol×K | 1483.81 | Joback Calculated Property |
| Cp,gas | 2382.65 | J/mol×K | 1555.99 | Joback Calculated Property |
| Cp,gas | 2414.11 | J/mol×K | 1628.18 | Joback Calculated Property |
| η | [0.0000029; 0.0001045] | Pa×s | [607.64; 1195.05] |
|
| η | 0.0001045 | Pa×s | 607.64 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 705.54 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 803.44 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 901.35 | Joback Calculated Property |
| η | 0.0000060 | Pa×s | 999.25 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 1097.15 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 1195.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadec-9-enoic acid docosyl ester, Z.
Sources
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