- InChI
- InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28-31(2,3)4/h5-28H2,1-4H3
- InChI Key
- XQPFOPKBZVDGEB-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCC(C)(C)C - Molecular Weight1
- 496.81
- 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 | 1.3789 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1307.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.721 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 599.85 | kPa | Joback Calculated Property |
| Inp | 3442.00 | NIST | |
| Tboil | 684.74 | K | Relay (1.0) Calculated Property |
| Tc | 853.53 | K | Relay (1.0) Calculated Property |
| Tfus | 331.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1670.57; 1786.66] | J/mol×K | [1058.03; 1328.97] | 
|
| Cp,gas | 1670.57 | J/mol×K | 1058.03 | Joback Calculated Property |
| Cp,gas | 1695.23 | J/mol×K | 1103.19 | Joback Calculated Property |
| Cp,gas | 1717.54 | J/mol×K | 1148.34 | Joback Calculated Property |
| Cp,gas | 1737.68 | J/mol×K | 1193.50 | Joback Calculated Property |
| Cp,gas | 1755.80 | J/mol×K | 1238.66 | Joback Calculated Property |
| Cp,gas | 1772.07 | J/mol×K | 1283.81 | Joback Calculated Property |
| Cp,gas | 1786.66 | J/mol×K | 1328.97 | Joback Calculated Property |
| η | [0.0000072; 0.0001785] | Pa×s | [585.87; 1058.03] |
|
| η | 0.0001785 | Pa×s | 585.87 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 664.56 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 743.26 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 821.95 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 900.64 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 979.34 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 1058.03 | Joback Calculated Property |
Similar Compounds
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Sources
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