- InChI
- InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h4H,2-3,5-26H2,1H3
- InChI Key
- JNPXKACTWMDULZ-UHFFFAOYSA-N
- Formula
- C28H52O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCCCCCC - Molecular Weight1
- 452.71
- 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 | 1.2826 | Relay (... Calculated Property | |
| ΔfG° | -195.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 72.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.59 | kJ/mol | Relay (... Calculated Property |
| IE | 9.66 | eV | Relay (... Calculated Property |
| log10WS | -7.52 | Relay (... Calculated Property | |
| logPoct/wat | 8.471 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 702.84 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 689.00 | K | Relay (... Calculated Property |
| Tc | 843.63 | K | Relay (... Calculated Property |
| Tfus | 300.38 | K | Relay (... Calculated Property |
| Vc | 1.589 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1444.22; 1549.85] | J/mol×K | [989.30; 1226.22] |
|
| Cp,gas | 1444.22 | J/mol×K | 989.30 | Joback Calculated Property |
| Cp,gas | 1466.32 | J/mol×K | 1028.79 | Joback Calculated Property |
| Cp,gas | 1486.51 | J/mol×K | 1068.27 | Joback Calculated Property |
| Cp,gas | 1504.89 | J/mol×K | 1107.76 | Joback Calculated Property |
| Cp,gas | 1521.51 | J/mol×K | 1147.25 | Joback Calculated Property |
| Cp,gas | 1536.48 | J/mol×K | 1186.74 | Joback Calculated Property |
| Cp,gas | 1549.85 | J/mol×K | 1226.22 | Joback Calculated Property |
| η | [0.0000171; 0.0003251] | Pa×s | [547.88; 989.30] |
|
| η | 0.0003251 | Pa×s | 547.88 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 621.45 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 695.02 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 768.59 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 842.16 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 915.73 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 989.30 | Joback Calculated Property |
Similar Compounds
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Sources
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