- InChI
- InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(30)23-24-29(31)33-27(4)26(2)3/h23-24,26-27H,5-22,25H2,1-4H3/b24-23+
- InChI Key
- LGWZJUAPFJXRPL-WCWDXBQESA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC
(=O)OC(C)C(C)C - Molecular Weight1
- 466.74
- 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 | 1.2737 | Relay (... Calculated Property | |
| ΔfG° | -199.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.83 | kJ/mol | Relay (... Calculated Property |
| IE | 10.16 | eV | Relay (... Calculated Property |
| log10WS | -8.74 | Relay (... Calculated Property | |
| logPoct/wat | 8.715 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 677.46 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 659.81 | K | Relay (... Calculated Property |
| Tc | 840.75 | K | Relay (... Calculated Property |
| Tfus | 312.48 | K | Relay (... Calculated Property |
| Vc | 1.622 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1511.99; 1619.27] | J/mol×K | [1018.78; 1263.11] |
|
| Cp,gas | 1511.99 | J/mol×K | 1018.78 | Joback Calculated Property |
| Cp,gas | 1534.35 | J/mol×K | 1059.50 | Joback Calculated Property |
| Cp,gas | 1554.79 | J/mol×K | 1100.22 | Joback Calculated Property |
| Cp,gas | 1573.39 | J/mol×K | 1140.94 | Joback Calculated Property |
| Cp,gas | 1590.27 | J/mol×K | 1181.67 | Joback Calculated Property |
| Cp,gas | 1605.53 | J/mol×K | 1222.39 | Joback Calculated Property |
| Cp,gas | 1619.27 | J/mol×K | 1263.11 | Joback Calculated Property |
| η | [0.0000098; 0.0003313] | Pa×s | [525.83; 1018.78] |
|
| η | 0.0003313 | Pa×s | 525.83 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 607.99 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 690.15 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 772.31 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 854.46 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 936.62 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 1018.78 | Joback Calculated Property |
Similar Compounds
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Sources
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