- InChI
- InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-32-27(30)23-20-17-14-15-18-21-24-28(31)33-26-29(2,3)4/h5-26H2,1-4H3
- InChI Key
- BDBWUFOKRMZRLQ-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OCC(C)(C)C - Molecular Weight1
- 468.75
- 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 | 1.3085 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1267.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 660.51 | kPa | Joback Calculated Property |
| Inp | [3234.00; 3234.00] |
|
|
| Inp | 3234.00 | NIST | |
| Inp | 3234.00 | NIST | |
| Tboil | 671.71 | K | Relay (1.0) Calculated Property |
| Tc | 840.55 | K | Relay (1.0) Calculated Property |
| Tfus | 327.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.688 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.29; 1650.11] | J/mol×K | [1012.27; 1256.59] |
|
| Cp,gas | 1539.29 | J/mol×K | 1012.27 | Joback Calculated Property |
| Cp,gas | 1562.26 | J/mol×K | 1052.99 | Joback Calculated Property |
| Cp,gas | 1583.28 | J/mol×K | 1093.71 | Joback Calculated Property |
| Cp,gas | 1602.46 | J/mol×K | 1134.43 | Joback Calculated Property |
| Cp,gas | 1619.92 | J/mol×K | 1175.15 | Joback Calculated Property |
| Cp,gas | 1635.76 | J/mol×K | 1215.87 | Joback Calculated Property |
| Cp,gas | 1650.11 | J/mol×K | 1256.59 | Joback Calculated Property |
| η | [0.0000101; 0.0002393] | Pa×s | [563.33; 1012.27] |
|
| η | 0.0002393 | Pa×s | 563.33 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 638.15 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 712.98 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 787.80 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 862.62 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 937.45 | Joback Calculated Property |
| η | 0.0000101 | Pa×s | 1012.27 | Joback Calculated Property |
Similar Compounds
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Sources
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