- InChI
- InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-16-22-29-25(27)19-14-11-15-20-26(28)30-23-21-24-17-12-10-13-18-24/h10,12-13,17-18H,2-9,11,14-16,19-23H2,1H3
- InChI Key
- LIJBHUXCFIKBEC-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCC
c1ccccc1 - Molecular Weight1
- 418.62
- 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 | 1.1843 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.797 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 878.96 | kPa | Joback Calculated Property |
| Inp | [3173.00; 3173.00] |
|
|
| Inp | 3173.00 | NIST | |
| Inp | 3173.00 | NIST | |
| Tboil | 682.28 | K | Relay (1.0) Calculated Property |
| Tc | 873.99 | K | Relay (1.0) Calculated Property |
| Tfus | 291.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1227.99; 1312.20] | J/mol×K | [937.60; 1147.91] |
|
| Cp,gas | 1227.99 | J/mol×K | 937.60 | Joback Calculated Property |
| Cp,gas | 1245.66 | J/mol×K | 972.65 | Joback Calculated Property |
| Cp,gas | 1261.81 | J/mol×K | 1007.70 | Joback Calculated Property |
| Cp,gas | 1276.48 | J/mol×K | 1042.76 | Joback Calculated Property |
| Cp,gas | 1289.73 | J/mol×K | 1077.81 | Joback Calculated Property |
| Cp,gas | 1301.62 | J/mol×K | 1112.86 | Joback Calculated Property |
| Cp,gas | 1312.20 | J/mol×K | 1147.91 | Joback Calculated Property |
| η | [0.0000169; 0.0005181] | Pa×s | [493.86; 937.60] |
|
| η | 0.0005181 | Pa×s | 493.86 | Joback Calculated Property |
| η | 0.0002020 | Pa×s | 567.82 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 641.77 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 715.73 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 789.69 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 863.64 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 937.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, phenethyl undecyl ester.
Sources
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