- InChI
- InChI=1S/C25H24O5/c1-2-3-15-28-24(26)20-10-8-11-21(17-20)25(27)29-18-19-9-7-14-23(16-19)30-22-12-5-4-6-13-22/h4-14,16-17H,2-3,15,18H2,1H3
- InChI Key
- NNMDFRWUXIBCEB-UHFFFAOYSA-N
- Formula
- C25H24O5
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)OCc2cccc
(Oc3ccccc3)c2)c1 - Molecular Weight1
- 404.46
- 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° | -95.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 5.793 | Crippen Calculated Property | |
| McVol | 312.580 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | [3250.00; 3250.00] |
|
|
| Inp | 3250.00 | NIST | |
| Inp | 3250.00 | NIST | |
| Tboil | 1036.40 | K | Joback Calculated Property |
| Tc | 1281.07 | K | Joback Calculated Property |
| Tfus | 642.36 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.87; 1031.22] | J/mol×K | [1036.40; 1281.07] |
|
| Cp,gas | 991.87 | J/mol×K | 1036.40 | Joback Calculated Property |
| Cp,gas | 1002.44 | J/mol×K | 1077.18 | Joback Calculated Property |
| Cp,gas | 1011.33 | J/mol×K | 1117.96 | Joback Calculated Property |
| Cp,gas | 1018.60 | J/mol×K | 1158.74 | Joback Calculated Property |
| Cp,gas | 1024.31 | J/mol×K | 1199.52 | Joback Calculated Property |
| Cp,gas | 1028.49 | J/mol×K | 1240.29 | Joback Calculated Property |
| Cp,gas | 1031.22 | J/mol×K | 1281.07 | Joback Calculated Property |
| η | [0.0000216; 0.0001738] | Pa×s | [642.36; 1036.40] |
|
| η | 0.0001738 | Pa×s | 642.36 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 708.03 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 773.71 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 839.38 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 905.05 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 970.73 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 1036.40 | Joback Calculated Property |
Similar Compounds
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Sources
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