- InChI
- InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-21(17(2)3)18(4)5/h14-15,17-18,21H,6-13,16H2,1-5H3/b15-14+
- InChI Key
- VSCNDMTYLCLTFJ-CCEZHUSRSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)OC(C(C
)C)C(C)C - Molecular Weight1
- 354.52
- 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° | -269.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 5.450 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | 2324.00 | NIST | |
| Tboil | 835.30 | K | Joback Calculated Property |
| Tc | 1026.77 | K | Joback Calculated Property |
| Tfus | 420.67 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.90; 1099.70] | J/mol×K | [835.30; 1026.77] | 
|
| Cp,gas | 1005.90 | J/mol×K | 835.30 | Joback Calculated Property |
| Cp,gas | 1024.21 | J/mol×K | 867.21 | Joback Calculated Property |
| Cp,gas | 1041.40 | J/mol×K | 899.12 | Joback Calculated Property |
| Cp,gas | 1057.52 | J/mol×K | 931.03 | Joback Calculated Property |
| Cp,gas | 1072.59 | J/mol×K | 962.95 | Joback Calculated Property |
| Cp,gas | 1086.64 | J/mol×K | 994.86 | Joback Calculated Property |
| Cp,gas | 1099.70 | J/mol×K | 1026.77 | Joback Calculated Property |
| η | [0.0000309; 0.0012192] | Pa×s | [420.67; 835.30] |
|
| η | 0.0012192 | Pa×s | 420.67 | Joback Calculated Property |
| η | 0.0004290 | Pa×s | 489.77 | Joback Calculated Property |
| η | 0.0001954 | Pa×s | 558.88 | Joback Calculated Property |
| η | 0.0001059 | Pa×s | 627.99 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 697.09 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 766.19 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 835.30 | Joback Calculated Property |
Similar Compounds
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Sources
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