- InChI
- InChI=1S/C23H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(4)20(2)3/h20-21H,5-19H2,1-4H3
- InChI Key
- LDBVBFXFXCXODT-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OC(
C)C(C)C - Molecular Weight1
- 384.59
- 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 | 1.0823 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1150.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.599 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 908.34 | kPa | Joback Calculated Property |
| Inp | [2572.00; 2572.00] |
|
|
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 627.51 | K | Relay (1.0) Calculated Property |
| Tc | 800.81 | K | Relay (1.0) Calculated Property |
| Tfus | 280.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.336 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1155.40; 1253.84] | J/mol×K | [877.34; 1074.11] |
|
| Cp,gas | 1155.40 | J/mol×K | 877.34 | Joback Calculated Property |
| Cp,gas | 1174.99 | J/mol×K | 910.14 | Joback Calculated Property |
| Cp,gas | 1193.27 | J/mol×K | 942.93 | Joback Calculated Property |
| Cp,gas | 1210.26 | J/mol×K | 975.73 | Joback Calculated Property |
| Cp,gas | 1226.01 | J/mol×K | 1008.52 | Joback Calculated Property |
| Cp,gas | 1240.52 | J/mol×K | 1041.32 | Joback Calculated Property |
| Cp,gas | 1253.84 | J/mol×K | 1074.11 | Joback Calculated Property |
| η | [0.0000286; 0.0008160] | Pa×s | [463.29; 877.34] |
|
| η | 0.0008160 | Pa×s | 463.29 | Joback Calculated Property |
| η | 0.0003252 | Pa×s | 532.30 | Joback Calculated Property |
| η | 0.0001600 | Pa×s | 601.31 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 670.32 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 739.32 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 808.33 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 877.34 | Joback Calculated Property |
Similar Compounds
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Sources
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