- InChI
- InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3
- InChI Key
- VNFXPOAMRORRJJ-UHFFFAOYSA-N
- Formula
- C21H26O3
- SMILES
-
CCCCCCCCc1ccc(OC(=O)c2ccccc2O)
cc1 - Molecular Weight1
- 326.43
- CAS
- 2512-56-3
- 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).
- 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° | -47.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.72 | kJ/mol | Joback Calculated Property |
| log10WS | -6.42 | Crippen Calculated Property | |
| logPoct/wat | 5.514 | Crippen Calculated Property | |
| McVol | 272.540 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Tboil | 895.13 | K | Joback Calculated Property |
| Tc | 1120.71 | K | Joback Calculated Property |
| Tfus | 575.67 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.21; 933.86] | J/mol×K | [895.13; 1120.71] | 
|
| Cp,gas | 851.21 | J/mol×K | 895.13 | Joback Calculated Property |
| Cp,gas | 866.79 | J/mol×K | 932.73 | Joback Calculated Property |
| Cp,gas | 881.51 | J/mol×K | 970.32 | Joback Calculated Property |
| Cp,gas | 895.47 | J/mol×K | 1007.92 | Joback Calculated Property |
| Cp,gas | 908.78 | J/mol×K | 1045.52 | Joback Calculated Property |
| Cp,gas | 921.54 | J/mol×K | 1083.11 | Joback Calculated Property |
| Cp,gas | 933.86 | J/mol×K | 1120.71 | Joback Calculated Property |
| η | [0.0000029; 0.0000721] | Pa×s | [575.67; 895.13] |
|
| η | 0.0000721 | Pa×s | 575.67 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 628.91 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 682.16 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 735.40 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 788.64 | Joback Calculated Property |
| η | 0.0000042 | Pa×s | 841.89 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 895.13 | Joback Calculated Property |
Similar Compounds
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Sources
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