- InChI
- InChI=1S/C21H32O4/c1-6-9-10-11-15-24-19(22)21(7-2,8-3)20(23)25-18-14-12-13-16(4)17(18)5/h12-14H,6-11,15H2,1-5H3
- InChI Key
- OVKXSMJZARHDMM-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
ccc(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° | -245.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 5.139 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1255.70 | kPa | Joback Calculated Property |
| Inp | 2299.00 | NIST | |
| Tboil | 865.87 | K | Joback Calculated Property |
| Tc | 1072.14 | K | Joback Calculated Property |
| Tfus | 524.63 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.29; 1018.60] | J/mol×K | [865.87; 1072.14] | 
|
| Cp,gas | 937.29 | J/mol×K | 865.87 | Joback Calculated Property |
| Cp,gas | 953.67 | J/mol×K | 900.25 | Joback Calculated Property |
| Cp,gas | 968.86 | J/mol×K | 934.63 | Joback Calculated Property |
| Cp,gas | 982.91 | J/mol×K | 969.00 | Joback Calculated Property |
| Cp,gas | 995.86 | J/mol×K | 1003.38 | Joback Calculated Property |
| Cp,gas | 1007.75 | J/mol×K | 1037.76 | Joback Calculated Property |
| Cp,gas | 1018.60 | J/mol×K | 1072.14 | Joback Calculated Property |
| η | [0.0000379; 0.0004181] | Pa×s | [524.63; 865.87] |
|
| η | 0.0004181 | Pa×s | 524.63 | Joback Calculated Property |
| η | 0.0002304 | Pa×s | 581.50 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 638.38 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 695.25 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 752.12 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 809.00 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 865.87 | Joback Calculated Property |
Similar Compounds
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Sources
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