- InChI
- InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-16-23-31-27(29)20-14-13-15-21-28(30)32-24-22-26(4)19-17-18-25(2)3/h25-26H,5-24H2,1-4H3
- InChI Key
- KTZCCELFPBVAHX-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCC
C(C)CCCC(C)C - Molecular Weight1
- 454.73
- 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 | 1.2456 | Relay (1.0) Calculated Property | |
| ΔfG° | -440.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 664.26 | kPa | Joback Calculated Property |
| Inp | [3052.00; 3052.00] |
|
|
| Inp | 3052.00 | NIST | |
| Inp | 3052.00 | NIST | |
| Tboil | 666.52 | K | Relay (1.0) Calculated Property |
| Tc | 836.79 | K | Relay (1.0) Calculated Property |
| Tfus | 270.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1455.34; 1559.29] | J/mol×K | [955.80; 1179.62] |
|
| Cp,gas | 1455.34 | J/mol×K | 955.80 | Joback Calculated Property |
| Cp,gas | 1477.32 | J/mol×K | 993.10 | Joback Calculated Property |
| Cp,gas | 1497.36 | J/mol×K | 1030.41 | Joback Calculated Property |
| Cp,gas | 1515.50 | J/mol×K | 1067.71 | Joback Calculated Property |
| Cp,gas | 1531.83 | J/mol×K | 1105.01 | Joback Calculated Property |
| Cp,gas | 1546.41 | J/mol×K | 1142.32 | Joback Calculated Property |
| Cp,gas | 1559.29 | J/mol×K | 1179.62 | Joback Calculated Property |
| η | [0.0000099; 0.0007240] | Pa×s | [459.98; 955.80] |
|
| η | 0.0007240 | Pa×s | 459.98 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 542.62 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 625.25 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 707.89 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 790.53 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 873.16 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 955.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl undecyl ester.
Sources
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