- InChI
- InChI=1S/C31H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-35-30(32)28-21-15-16-22-29(28)31(33)36-25-26-19-18-20-27(24-26)34-2/h15-16,18-22,24H,3-14,17,23,25H2,1-2H3
- InChI Key
- VJPUBWYHAORFMA-UHFFFAOYSA-N
- Formula
- C31H44O5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCc1cccc(OC)c1 - Molecular Weight1
- 496.68
- 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° | -157.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.20 | kJ/mol | Joback Calculated Property |
| log10WS | -10.05 | Crippen Calculated Property | |
| logPoct/wat | 8.300 | Crippen Calculated Property | |
| McVol | 420.880 | ml/mol | McGowan Calculated Property |
| Pc | 822.42 | kPa | Joback Calculated Property |
| Inp | [3707.00; 3707.00] |
|
|
| Inp | 3707.00 | NIST | |
| Inp | 3707.00 | NIST | |
| Tboil | 1147.00 | K | Joback Calculated Property |
| Tc | 1414.90 | K | Joback Calculated Property |
| Tfus | 683.56 | K | Joback Calculated Property |
| Vc | 1.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1470.33; 1516.19] | J/mol×K | [1147.00; 1414.90] |
|
| Cp,gas | 1470.33 | J/mol×K | 1147.00 | Joback Calculated Property |
| Cp,gas | 1483.54 | J/mol×K | 1191.65 | Joback Calculated Property |
| Cp,gas | 1494.40 | J/mol×K | 1236.30 | Joback Calculated Property |
| Cp,gas | 1503.00 | J/mol×K | 1280.95 | Joback Calculated Property |
| Cp,gas | 1509.43 | J/mol×K | 1325.60 | Joback Calculated Property |
| Cp,gas | 1513.80 | J/mol×K | 1370.25 | Joback Calculated Property |
| Cp,gas | 1516.19 | J/mol×K | 1414.90 | Joback Calculated Property |
| η | [0.0000082; 0.0000901] | Pa×s | [683.56; 1147.00] |
|
| η | 0.0000901 | Pa×s | 683.56 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 760.80 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 838.04 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 915.28 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 992.52 | Joback Calculated Property |
| η | 0.0000106 | Pa×s | 1069.76 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 1147.00 | Joback Calculated Property |
Similar Compounds
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Sources
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