- InChI
- InChI=1S/C28H38O5/c1-2-3-13-22-31-27(29)16-11-6-4-5-7-12-17-28(30)32-23-24-18-20-26(21-19-24)33-25-14-9-8-10-15-25/h8-10,14-15,18-21H,2-7,11-13,16-17,22-23H2,1H3
- InChI Key
- LNTRJDNTBAOIRA-UHFFFAOYSA-N
- Formula
- C28H38O5
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCc1cc
c(Oc2ccccc2)cc1 - Molecular Weight1
- 454.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -172.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.99 | Crippen Calculated Property | |
| logPoct/wat | 7.376 | Crippen Calculated Property | |
| McVol | 378.610 | ml/mol | McGowan Calculated Property |
| Pc | 986.40 | kPa | Joback Calculated Property |
| Inp | [3448.00; 3448.00] |
|
|
| Inp | 3448.00 | NIST | |
| Inp | 3448.00 | NIST | |
| Tboil | 1073.38 | K | Joback Calculated Property |
| Tc | 1314.79 | K | Joback Calculated Property |
| Tfus | 637.23 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1286.96; 1341.67] | J/mol×K | [1073.38; 1314.79] |
|
| Cp,gas | 1286.96 | J/mol×K | 1073.38 | Joback Calculated Property |
| Cp,gas | 1300.49 | J/mol×K | 1113.61 | Joback Calculated Property |
| Cp,gas | 1312.16 | J/mol×K | 1153.85 | Joback Calculated Property |
| Cp,gas | 1322.05 | J/mol×K | 1194.08 | Joback Calculated Property |
| Cp,gas | 1330.22 | J/mol×K | 1234.32 | Joback Calculated Property |
| Cp,gas | 1336.74 | J/mol×K | 1274.55 | Joback Calculated Property |
| Cp,gas | 1341.67 | J/mol×K | 1314.79 | Joback Calculated Property |
| η | [0.0000128; 0.0001460] | Pa×s | [637.23; 1073.38] |
|
| η | 0.0001460 | Pa×s | 637.23 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 709.92 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 782.61 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 855.30 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 928.00 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 1000.69 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 1073.38 | Joback Calculated Property |
Similar Compounds
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Sources
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