- InChI
- InChI=1S/C25H48O4/c1-5-6-7-8-9-12-15-18-21-28-23(26)19-16-13-10-11-14-17-20-24(27)29-22-25(2,3)4/h5-22H2,1-4H3
- InChI Key
- QXFFZSZGIXCOCM-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
CC(C)(C)C - Molecular Weight1
- 412.65
- 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 | 1.1681 | Relay (1.0) Calculated Property | |
| ΔfG° | -305.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1188.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 813.07 | kPa | Joback Calculated Property |
| Inp | 2823.00 | NIST | |
| Tboil | 645.11 | K | Relay (1.0) Calculated Property |
| Tc | 813.02 | K | Relay (1.0) Calculated Property |
| Tfus | 315.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.05; 1383.30] | J/mol×K | [920.75; 1128.53] | 
|
| Cp,gas | 1281.05 | J/mol×K | 920.75 | Joback Calculated Property |
| Cp,gas | 1301.43 | J/mol×K | 955.38 | Joback Calculated Property |
| Cp,gas | 1320.39 | J/mol×K | 990.01 | Joback Calculated Property |
| Cp,gas | 1338.00 | J/mol×K | 1024.64 | Joback Calculated Property |
| Cp,gas | 1354.32 | J/mol×K | 1059.27 | Joback Calculated Property |
| Cp,gas | 1369.40 | J/mol×K | 1093.90 | Joback Calculated Property |
| Cp,gas | 1383.30 | J/mol×K | 1128.53 | Joback Calculated Property |
| η | [0.0000195; 0.0004198] | Pa×s | [518.25; 920.75] |
|
| η | 0.0004198 | Pa×s | 518.25 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 585.33 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 652.42 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 719.50 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 786.58 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 853.67 | Joback Calculated Property |
| η | 0.0000195 | Pa×s | 920.75 | Joback Calculated Property |
Similar Compounds
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Sources
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