- InChI
- InChI=1S/C21H32O4/c1-4-5-6-7-10-16-24-20(22)14-8-9-15-21(23)25-19-13-11-12-17(2)18(19)3/h11-13H,4-10,14-16H2,1-3H3
- InChI Key
- QCYWQLPRTQWBQA-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCOC(=O)CCCCC(=O)Oc1cccc(
C)c1C - Molecular Weight1
- 348.48
- 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° | -248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.283 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1238.96 | kPa | Joback Calculated Property |
| Inp | 2588.00 | NIST | |
| Tboil | 869.10 | K | Joback Calculated Property |
| Tc | 1071.22 | K | Joback Calculated Property |
| Tfus | 522.21 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [936.55; 1016.76] | J/mol×K | [869.10; 1071.22] | 
|
| Cp,gas | 936.55 | J/mol×K | 869.10 | Joback Calculated Property |
| Cp,gas | 952.81 | J/mol×K | 902.79 | Joback Calculated Property |
| Cp,gas | 967.89 | J/mol×K | 936.47 | Joback Calculated Property |
| Cp,gas | 981.80 | J/mol×K | 970.16 | Joback Calculated Property |
| Cp,gas | 994.57 | J/mol×K | 1003.85 | Joback Calculated Property |
| Cp,gas | 1006.22 | J/mol×K | 1037.54 | Joback Calculated Property |
| Cp,gas | 1016.76 | J/mol×K | 1071.22 | Joback Calculated Property |
| η | [0.0000484; 0.0004628] | Pa×s | [522.21; 869.10] |
|
| η | 0.0004628 | Pa×s | 522.21 | Joback Calculated Property |
| η | 0.0002633 | Pa×s | 580.02 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 637.84 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 695.65 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 753.47 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 811.28 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 869.10 | Joback Calculated Property |
Similar Compounds
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Sources
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