- InChI
- InChI=1S/C27H44O4/c1-3-5-6-7-10-13-16-22-30-26(28)20-14-11-8-9-12-15-21-27(29)31-25-19-17-18-24(4-2)23-25/h17-19,23H,3-16,20-22H2,1-2H3
- InChI Key
- HRZVEOFRDCZRMS-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1cccc(CC)c1 - Molecular Weight1
- 432.64
- 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 | 1.2404 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -986.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.569 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 864.04 | kPa | Joback Calculated Property |
| Inp | 3202.00 | NIST | |
| Tboil | 679.55 | K | Relay (1.0) Calculated Property |
| Tc | 881.53 | K | Relay (1.0) Calculated Property |
| Tfus | 293.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1306.45; 1390.19] | J/mol×K | [1001.40; 1228.17] | 
|
| Cp,gas | 1306.45 | J/mol×K | 1001.40 | Joback Calculated Property |
| Cp,gas | 1324.35 | J/mol×K | 1039.19 | Joback Calculated Property |
| Cp,gas | 1340.59 | J/mol×K | 1076.99 | Joback Calculated Property |
| Cp,gas | 1355.23 | J/mol×K | 1114.78 | Joback Calculated Property |
| Cp,gas | 1368.34 | J/mol×K | 1152.58 | Joback Calculated Property |
| Cp,gas | 1379.97 | J/mol×K | 1190.37 | Joback Calculated Property |
| Cp,gas | 1390.19 | J/mol×K | 1228.17 | Joback Calculated Property |
| η | [0.0000195; 0.0002685] | Pa×s | [577.31; 1001.40] |
|
| η | 0.0002685 | Pa×s | 577.31 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 647.99 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 718.67 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 789.36 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 860.04 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 930.72 | Joback Calculated Property |
| η | 0.0000195 | Pa×s | 1001.40 | Joback Calculated Property |
Similar Compounds
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Sources
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