- InChI
- InChI=1S/C27H42O4/c1-2-3-4-5-10-16-23-30-26(28)21-14-8-6-7-9-15-22-27(29)31-24-17-20-25-18-12-11-13-19-25/h11-13,17-20H,2-10,14-16,21-24H2,1H3/b20-17+
- InChI Key
- WRJZOXWOUJGOHP-LVZFUZTISA-N
- Formula
- C27H42O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
=Cc1ccccc1 - Molecular Weight1
- 430.62
- 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 | 1.1534 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -870.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.268 | Crippen Calculated Property | |
| McVol | 378.110 | ml/mol | McGowan Calculated Property |
| Pc | 899.10 | kPa | Joback Calculated Property |
| Inp | [3309.00; 3309.00] |
|
|
| Inp | 3309.00 | NIST | |
| Inp | 3309.00 | NIST | |
| Tboil | 692.02 | K | Relay (1.0) Calculated Property |
| Tc | 883.39 | K | Relay (1.0) Calculated Property |
| Tfus | 312.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1278.50; 1365.08] | J/mol×K | [1000.58; 1225.91] |
|
| Cp,gas | 1278.50 | J/mol×K | 1000.58 | Joback Calculated Property |
| Cp,gas | 1296.23 | J/mol×K | 1038.13 | Joback Calculated Property |
| Cp,gas | 1312.52 | J/mol×K | 1075.69 | Joback Calculated Property |
| Cp,gas | 1327.48 | J/mol×K | 1113.24 | Joback Calculated Property |
| Cp,gas | 1341.17 | J/mol×K | 1150.80 | Joback Calculated Property |
| Cp,gas | 1353.68 | J/mol×K | 1188.35 | Joback Calculated Property |
| Cp,gas | 1365.08 | J/mol×K | 1225.91 | Joback Calculated Property |
| η | [0.0000168; 0.0002848] | Pa×s | [559.71; 1000.58] |
|
| η | 0.0002848 | Pa×s | 559.71 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 633.19 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 706.67 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 780.14 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 853.62 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 927.10 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 1000.58 | Joback Calculated Property |
Similar Compounds
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Sources
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