- InChI
- InChI=1S/C23H36O4/c1-3-5-14-19-26-22(24)17-10-8-6-7-9-11-18-23(25)27-21-16-13-12-15-20(21)4-2/h12-13,15-16H,3-11,14,17-19H2,1-2H3
- InChI Key
- KIXKKXZRBJPKJR-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc
cc1CC - Molecular Weight1
- 376.53
- 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 | 1.0928 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -895.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.009 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1097.90 | kPa | Joback Calculated Property |
| Inp | [2758.00; 2758.00] |
|
|
| Inp | 2758.00 | NIST | |
| Inp | 2758.00 | NIST | |
| Tboil | 648.12 | K | Relay (1.0) Calculated Property |
| Tc | 851.27 | K | Relay (1.0) Calculated Property |
| Tfus | 287.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.08; 1140.05] | J/mol×K | [909.88; 1115.88] |
|
| Cp,gas | 1058.08 | J/mol×K | 909.88 | Joback Calculated Property |
| Cp,gas | 1074.86 | J/mol×K | 944.21 | Joback Calculated Property |
| Cp,gas | 1090.35 | J/mol×K | 978.55 | Joback Calculated Property |
| Cp,gas | 1104.59 | J/mol×K | 1012.88 | Joback Calculated Property |
| Cp,gas | 1117.59 | J/mol×K | 1047.21 | Joback Calculated Property |
| Cp,gas | 1129.40 | J/mol×K | 1081.55 | Joback Calculated Property |
| Cp,gas | 1140.05 | J/mol×K | 1115.88 | Joback Calculated Property |
| η | [0.0000357; 0.0004311] | Pa×s | [532.23; 909.88] |
|
| η | 0.0004311 | Pa×s | 532.23 | Joback Calculated Property |
| η | 0.0002285 | Pa×s | 595.17 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 658.11 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 721.06 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 784.00 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 846.94 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 909.88 | Joback Calculated Property |
Similar Compounds
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Sources
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