- InChI
- InChI=1S/C22H34O4/c1-17(2)16-25-21(23)11-9-7-5-6-8-10-12-22(24)26-20-15-18(3)13-14-19(20)4/h13-15,17H,5-12,16H2,1-4H3
- InChI Key
- RDEUKMCFXNHEOY-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
Cc1ccc(C)c(OC(=O)CCCCCCCCC(=O)
OCC(C)C)c1 - Molecular Weight1
- 362.50
- 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° | -242.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.529 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1165.63 | kPa | Joback Calculated Property |
| Inp | [2638.00; 2638.00] |
|
|
| Inp | 2638.00 | NIST | |
| Inp | 2638.00 | NIST | |
| Tboil | 891.54 | K | Joback Calculated Property |
| Tc | 1096.74 | K | Joback Calculated Property |
| Tfus | 518.48 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.20; 1077.87] | J/mol×K | [891.54; 1096.74] |
|
| Cp,gas | 997.20 | J/mol×K | 891.54 | Joback Calculated Property |
| Cp,gas | 1013.73 | J/mol×K | 925.74 | Joback Calculated Property |
| Cp,gas | 1029.00 | J/mol×K | 959.94 | Joback Calculated Property |
| Cp,gas | 1043.02 | J/mol×K | 994.14 | Joback Calculated Property |
| Cp,gas | 1055.82 | J/mol×K | 1028.34 | Joback Calculated Property |
| Cp,gas | 1067.43 | J/mol×K | 1062.54 | Joback Calculated Property |
| Cp,gas | 1077.87 | J/mol×K | 1096.74 | Joback Calculated Property |
| η | [0.0000384; 0.0004636] | Pa×s | [518.48; 891.54] |
|
| η | 0.0004636 | Pa×s | 518.48 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 580.66 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 642.83 | Joback Calculated Property |
| η | 0.0000959 | Pa×s | 705.01 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 767.19 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 829.36 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 891.54 | Joback Calculated Property |
Similar Compounds
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Sources
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