- InChI
- InChI=1S/C29H40O5/c1-3-4-5-6-7-8-9-10-11-12-15-21-33-28(30)26-19-13-14-20-27(26)29(31)34-23-24-17-16-18-25(22-24)32-2/h13-14,16-20,22H,3-12,15,21,23H2,1-2H3
- InChI Key
- UPOFRWVKYSFPOF-UHFFFAOYSA-N
- Formula
- C29H40O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cccc(OC)c1 - Molecular Weight1
- 468.62
- 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 | 1.2982 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.520 | Crippen Calculated Property | |
| McVol | 392.700 | ml/mol | McGowan Calculated Property |
| Pc | 921.06 | kPa | Joback Calculated Property |
| Inp | 3506.00 | NIST | |
| Tboil | 727.02 | K | Relay (1.0) Calculated Property |
| Tc | 966.70 | K | Relay (1.0) Calculated Property |
| Tfus | 293.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1347.00; 1397.19] | J/mol×K | [1101.24; 1350.95] | 
|
| Cp,gas | 1347.00 | J/mol×K | 1101.24 | Joback Calculated Property |
| Cp,gas | 1360.24 | J/mol×K | 1142.86 | Joback Calculated Property |
| Cp,gas | 1371.44 | J/mol×K | 1184.48 | Joback Calculated Property |
| Cp,gas | 1380.67 | J/mol×K | 1226.10 | Joback Calculated Property |
| Cp,gas | 1387.99 | J/mol×K | 1267.72 | Joback Calculated Property |
| Cp,gas | 1393.48 | J/mol×K | 1309.33 | Joback Calculated Property |
| Cp,gas | 1397.19 | J/mol×K | 1350.95 | Joback Calculated Property |
| η | [0.0000113; 0.0001165] | Pa×s | [661.02; 1101.24] |
|
| η | 0.0001165 | Pa×s | 661.02 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 734.39 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 807.76 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 881.13 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 954.50 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 1027.87 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1101.24 | Joback Calculated Property |
Similar Compounds
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Sources
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