- InChI
- InChI=1S/C25H32O5/c1-3-4-6-11-20(2)29-25(27)17-10-16-24(26)28-19-21-12-9-15-23(18-21)30-22-13-7-5-8-14-22/h5,7-9,12-15,18,20H,3-4,6,10-11,16-17,19H2,1-2H3
- InChI Key
- HIJHXBZQBZGPQT-UHFFFAOYSA-N
- Formula
- C25H32O5
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCc1ccc
c(Oc2ccccc2)c1 - Molecular Weight1
- 412.52
- 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° | -200.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 6.204 | Crippen Calculated Property | |
| McVol | 336.340 | ml/mol | McGowan Calculated Property |
| Pc | 1198.96 | kPa | Joback Calculated Property |
| Inp | [3013.00; 3013.00] |
|
|
| Inp | 3013.00 | NIST | |
| Inp | 3013.00 | NIST | |
| Tboil | 1004.30 | K | Joback Calculated Property |
| Tc | 1232.41 | K | Joback Calculated Property |
| Tfus | 588.42 | K | Joback Calculated Property |
| Vc | 1.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.72; 1162.23] | J/mol×K | [1004.30; 1232.41] |
|
| Cp,gas | 1104.72 | J/mol×K | 1004.30 | Joback Calculated Property |
| Cp,gas | 1118.21 | J/mol×K | 1042.32 | Joback Calculated Property |
| Cp,gas | 1130.08 | J/mol×K | 1080.34 | Joback Calculated Property |
| Cp,gas | 1140.37 | J/mol×K | 1118.36 | Joback Calculated Property |
| Cp,gas | 1149.13 | J/mol×K | 1156.38 | Joback Calculated Property |
| Cp,gas | 1156.41 | J/mol×K | 1194.39 | Joback Calculated Property |
| Cp,gas | 1162.23 | J/mol×K | 1232.41 | Joback Calculated Property |
| η | [0.0000184; 0.0002284] | Pa×s | [588.42; 1004.30] |
|
| η | 0.0002284 | Pa×s | 588.42 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 657.73 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 727.05 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 796.36 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 865.67 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 934.99 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 1004.30 | Joback Calculated Property |
Similar Compounds
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Sources
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