- InChI
- InChI=1S/C21H34O4/c1-16(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-15-17-10-4-3-5-11-17/h3-4,16-19H,5-15H2,1-2H3
- InChI Key
- NUVAWUAGVVGSBE-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC
1CC=CCC1 - Molecular Weight1
- 350.49
- 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° | -273.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.672 | Crippen Calculated Property | |
| McVol | 295.610 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [2465.00; 2465.00] |
|
|
| Inp | 2465.00 | NIST | |
| Inp | 2465.00 | NIST | |
| Tboil | 865.61 | K | Joback Calculated Property |
| Tc | 1082.03 | K | Joback Calculated Property |
| Tfus | 467.03 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.80; 1091.46] | J/mol×K | [865.61; 1082.03] |
|
| Cp,gas | 999.80 | J/mol×K | 865.61 | Joback Calculated Property |
| Cp,gas | 1019.33 | J/mol×K | 901.68 | Joback Calculated Property |
| Cp,gas | 1037.13 | J/mol×K | 937.75 | Joback Calculated Property |
| Cp,gas | 1053.21 | J/mol×K | 973.82 | Joback Calculated Property |
| Cp,gas | 1067.61 | J/mol×K | 1009.89 | Joback Calculated Property |
| Cp,gas | 1080.35 | J/mol×K | 1045.96 | Joback Calculated Property |
| Cp,gas | 1091.46 | J/mol×K | 1082.03 | Joback Calculated Property |
| η | [0.0000631; 0.0011766] | Pa×s | [467.03; 865.61] |
|
| η | 0.0011766 | Pa×s | 467.03 | Joback Calculated Property |
| η | 0.0005334 | Pa×s | 533.46 | Joback Calculated Property |
| η | 0.0002881 | Pa×s | 599.89 | Joback Calculated Property |
| η | 0.0001759 | Pa×s | 666.32 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 732.75 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 799.18 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 865.61 | Joback Calculated Property |
Similar Compounds
Sources
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