- InChI
- InChI=1S/C28H38O5/c1-3-4-5-6-7-9-14-23(2)32-28(30)20-13-19-27(29)31-22-24-15-12-18-26(21-24)33-25-16-10-8-11-17-25/h8,10-12,15-18,21,23H,3-7,9,13-14,19-20,22H2,1-2H3
- InChI Key
- PAHBXWFGGASUFM-UHFFFAOYSA-N
- Formula
- C28H38O5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
cccc(Oc2ccccc2)c1 - 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° | -175.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.47 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 7.375 | Crippen Calculated Property | |
| McVol | 378.610 | ml/mol | McGowan Calculated Property |
| Pc | 991.38 | kPa | Joback Calculated Property |
| Inp | [3302.00; 3302.00] |
|
|
| Inp | 3302.00 | NIST | |
| Inp | 3302.00 | NIST | |
| Tboil | 1072.94 | K | Joback Calculated Property |
| Tc | 1313.86 | K | Joback Calculated Property |
| Tfus | 622.23 | K | Joback Calculated Property |
| Vc | 1.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.17; 1341.01] | J/mol×K | [1072.94; 1313.86] |
|
| Cp,gas | 1287.17 | J/mol×K | 1072.94 | Joback Calculated Property |
| Cp,gas | 1300.58 | J/mol×K | 1113.09 | Joback Calculated Property |
| Cp,gas | 1312.12 | J/mol×K | 1153.25 | Joback Calculated Property |
| Cp,gas | 1321.87 | J/mol×K | 1193.40 | Joback Calculated Property |
| Cp,gas | 1329.90 | J/mol×K | 1233.55 | Joback Calculated Property |
| Cp,gas | 1336.25 | J/mol×K | 1273.70 | Joback Calculated Property |
| Cp,gas | 1341.01 | J/mol×K | 1313.86 | Joback Calculated Property |
| η | [0.0000116; 0.0001568] | Pa×s | [622.23; 1072.94] |
|
| η | 0.0001568 | Pa×s | 622.23 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 697.35 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 772.47 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 847.58 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 922.70 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 997.82 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 1072.94 | Joback Calculated Property |
Similar Compounds
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Sources
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