- InChI
- InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(26)19-20-25(27)29-23(4)22(2)3/h19-20,22-23H,5-18,21H2,1-4H3/b20-19+
- InChI Key
- CIOXOISVGJOCGJ-FMQUCBEESA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)
OC(C)C(C)C - Molecular Weight1
- 410.63
- 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 | 1.1335 | Relay (... Calculated Property | |
| ΔfG° | -232.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.93 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.23 | kJ/mol | Relay (... Calculated Property |
| IE | 10.03 | eV | Relay (... Calculated Property |
| log10WS | -7.50 | Relay (... Calculated Property | |
| logPoct/wat | 7.155 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Pc | 836.28 | kPa | Joback Calculated Property |
| Inp | [2772.00; 2772.00] |
|
|
| Inp | 2772.00 | NIST | |
| Inp | 2772.00 | NIST | |
| Tboil | 632.82 | K | Relay (... Calculated Property |
| Tc | 812.72 | K | Relay (... Calculated Property |
| Tfus | 302.33 | K | Relay (... Calculated Property |
| Vc | 1.401 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1254.59; 1354.26] | J/mol×K | [927.26; 1136.14] |
|
| Cp,gas | 1254.59 | J/mol×K | 927.26 | Joback Calculated Property |
| Cp,gas | 1274.51 | J/mol×K | 962.07 | Joback Calculated Property |
| Cp,gas | 1293.04 | J/mol×K | 996.89 | Joback Calculated Property |
| Cp,gas | 1310.23 | J/mol×K | 1031.70 | Joback Calculated Property |
| Cp,gas | 1326.13 | J/mol×K | 1066.51 | Joback Calculated Property |
| Cp,gas | 1340.79 | J/mol×K | 1101.32 | Joback Calculated Property |
| Cp,gas | 1354.26 | J/mol×K | 1136.14 | Joback Calculated Property |
| η | [0.0000184; 0.0005844] | Pa×s | [480.75; 927.26] |
|
| η | 0.0005844 | Pa×s | 480.75 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 555.17 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 629.59 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 704.00 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 778.42 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 852.84 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 927.26 | Joback Calculated Property |
Similar Compounds
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Sources
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