- InChI
- InChI=1S/C21H38O4/c1-4-6-7-14-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(3)15-5-2/h5,19H,2,4,6-18H2,1,3H3
- InChI Key
- YLNCBCIEXHVJSO-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCC(C)OC(=O)CCCCCCCCC(=O)OCC
CCCC - Molecular Weight1
- 354.52
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9950 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1000.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.739 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1045.97 | kPa | Joback Calculated Property |
| Inp | 2394.00 | NIST | |
| Tboil | 625.52 | K | Relay (1.0) Calculated Property |
| Tc | 786.20 | K | Relay (1.0) Calculated Property |
| Tfus | 261.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.27; 1096.52] | J/mol×K | [828.70; 1016.50] | 
|
| Cp,gas | 1003.27 | J/mol×K | 828.70 | Joback Calculated Property |
| Cp,gas | 1021.45 | J/mol×K | 860.00 | Joback Calculated Property |
| Cp,gas | 1038.55 | J/mol×K | 891.30 | Joback Calculated Property |
| Cp,gas | 1054.58 | J/mol×K | 922.60 | Joback Calculated Property |
| Cp,gas | 1069.57 | J/mol×K | 953.90 | Joback Calculated Property |
| Cp,gas | 1083.55 | J/mol×K | 985.20 | Joback Calculated Property |
| Cp,gas | 1096.52 | J/mol×K | 1016.50 | Joback Calculated Property |
| η | [0.0000452; 0.0008941] | Pa×s | [453.99; 828.70] |
|
| η | 0.0008941 | Pa×s | 453.99 | Joback Calculated Property |
| η | 0.0004024 | Pa×s | 516.44 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 578.89 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 641.35 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 703.80 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 766.25 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 828.70 | Joback Calculated Property |
Similar Compounds
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Sources
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