- InChI
- InChI=1S/C29H40O4/c1-23(2)22-32-27(30)16-12-7-5-6-8-13-17-28(31)33-26-20-18-25(19-21-26)29(3,4)24-14-10-9-11-15-24/h9-11,14-15,18-21,23H,5-8,12-13,16-17,22H2,1-4H3
- InChI Key
- IUUPLMXJADRNIM-UHFFFAOYSA-N
- Formula
- C29H40O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(C(C)(C)c2ccccc2)cc1 - Molecular Weight1
- 452.63
- 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 | 1.1139 | Relay (... Calculated Property | |
| ΔfG° | -58.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.20 | eV | Relay (... Calculated Property |
| log10WS | -7.13 | Relay (... Calculated Property | |
| logPoct/wat | 7.238 | Crippen Calculated Property | |
| McVol | 386.830 | ml/mol | McGowan Calculated Property |
| Pc | 954.96 | kPa | Joback Calculated Property |
| Inp | [3503.00; 3503.00] |
|
|
| Inp | 3503.00 | NIST | |
| Inp | 3503.00 | NIST | |
| Tboil | 700.61 | K | Relay (... Calculated Property |
| Tc | 950.19 | K | Relay (... Calculated Property |
| Tfus | 342.87 | K | Relay (... Calculated Property |
| Vc | 1.419 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1322.95; 1394.80] | J/mol×K | [1070.17; 1310.26] |
|
| Cp,gas | 1322.95 | J/mol×K | 1070.17 | Joback Calculated Property |
| Cp,gas | 1338.17 | J/mol×K | 1110.18 | Joback Calculated Property |
| Cp,gas | 1351.93 | J/mol×K | 1150.20 | Joback Calculated Property |
| Cp,gas | 1364.36 | J/mol×K | 1190.21 | Joback Calculated Property |
| Cp,gas | 1375.57 | J/mol×K | 1230.23 | Joback Calculated Property |
| Cp,gas | 1385.68 | J/mol×K | 1270.24 | Joback Calculated Property |
| Cp,gas | 1394.80 | J/mol×K | 1310.26 | Joback Calculated Property |
| η | [0.0000100; 0.0001701] | Pa×s | [613.69; 1070.17] |
|
| η | 0.0001701 | Pa×s | 613.69 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 689.77 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 765.85 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 841.93 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 918.01 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 994.09 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 1070.17 | Joback Calculated Property |
Similar Compounds
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Sources
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