- InChI
- InChI=1S/C21H28O2/c1-2-3-4-14-5-7-17(8-6-14)21(22)23-20-18-10-15-9-16(12-18)13-19(20)11-15/h5-8,15-16,18-20H,2-4,9-13H2,1H3
- InChI Key
- XPXKHQKPWRXECF-UHFFFAOYSA-N
- Formula
- C21H28O2
- SMILES
-
CCCCc1ccc(C(=O)OC2C3CC4CC(C3)C
C2C4)cc1 - Molecular Weight1
- 312.45
- 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° | 149.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.011 | Crippen Calculated Property | |
| McVol | 257.850 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | 2462.40 | NIST | |
| Tboil | 802.98 | K | Joback Calculated Property |
| Tc | 1025.82 | K | Joback Calculated Property |
| Tfus | 479.35 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.28; 953.34] | J/mol×K | [802.98; 1025.82] | 
|
| Cp,gas | 848.28 | J/mol×K | 802.98 | Joback Calculated Property |
| Cp,gas | 868.71 | J/mol×K | 840.12 | Joback Calculated Property |
| Cp,gas | 887.81 | J/mol×K | 877.26 | Joback Calculated Property |
| Cp,gas | 905.71 | J/mol×K | 914.40 | Joback Calculated Property |
| Cp,gas | 922.52 | J/mol×K | 951.54 | Joback Calculated Property |
| Cp,gas | 938.35 | J/mol×K | 988.68 | Joback Calculated Property |
| Cp,gas | 953.34 | J/mol×K | 1025.82 | Joback Calculated Property |
| η | [0.0019864; 0.0039208] | Pa×s | [479.35; 802.98] |
|
| η | 0.0039208 | Pa×s | 479.35 | Joback Calculated Property |
| η | 0.0033058 | Pa×s | 533.29 | Joback Calculated Property |
| η | 0.0028759 | Pa×s | 587.23 | Joback Calculated Property |
| η | 0.0025613 | Pa×s | 641.16 | Joback Calculated Property |
| η | 0.0023225 | Pa×s | 695.10 | Joback Calculated Property |
| η | 0.0021359 | Pa×s | 749.04 | Joback Calculated Property |
| η | 0.0019864 | Pa×s | 802.98 | Joback Calculated Property |
Similar Compounds
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Sources
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