- InChI
- InChI=1S/C31H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-34-30(32)28-22-17-18-23-29(28)31(33)35-25-27-21-16-15-20-26(27)2/h15-18,20-23H,3-14,19,24-25H2,1-2H3
- InChI Key
- YXYIREHPOYJAQL-UHFFFAOYSA-N
- Formula
- C31H44O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCc1ccccc1C - Molecular Weight1
- 480.68
- 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° | -52.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.79 | kJ/mol | Joback Calculated Property |
| log10WS | -10.40 | Crippen Calculated Property | |
| logPoct/wat | 8.600 | Crippen Calculated Property | |
| McVol | 415.010 | ml/mol | McGowan Calculated Property |
| Pc | 830.50 | kPa | Joback Calculated Property |
| Inp | [3464.00; 3464.00] |
|
|
| Inp | 3464.00 | NIST | |
| Inp | 3464.00 | NIST | |
| Tboil | 1124.58 | K | Joback Calculated Property |
| Tc | 1383.23 | K | Joback Calculated Property |
| Tfus | 661.33 | K | Joback Calculated Property |
| Vc | 1.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1445.92; 1509.27] | J/mol×K | [1124.58; 1383.23] |
|
| Cp,gas | 1445.92 | J/mol×K | 1124.58 | Joback Calculated Property |
| Cp,gas | 1460.95 | J/mol×K | 1167.69 | Joback Calculated Property |
| Cp,gas | 1474.05 | J/mol×K | 1210.80 | Joback Calculated Property |
| Cp,gas | 1485.31 | J/mol×K | 1253.90 | Joback Calculated Property |
| Cp,gas | 1494.87 | J/mol×K | 1297.01 | Joback Calculated Property |
| Cp,gas | 1502.81 | J/mol×K | 1340.12 | Joback Calculated Property |
| Cp,gas | 1509.27 | J/mol×K | 1383.23 | Joback Calculated Property |
| η | [0.0000113; 0.0001302] | Pa×s | [661.33; 1124.58] |
|
| η | 0.0001302 | Pa×s | 661.33 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 738.54 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 815.75 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 892.95 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 970.16 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 1047.37 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1124.58 | Joback Calculated Property |
Similar Compounds
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Sources
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