- InChI
- InChI=1S/C20H26O4/c21-19(23-15-7-12-17-8-3-1-4-9-17)13-14-20(22)24-16-18-10-5-2-6-11-18/h1,3-4,8-9,13-14,18H,2,5-7,10-12,15-16H2/b14-13+
- InChI Key
- XUCLDZYJGXOFLW-BUHFOSPRSA-N
- Formula
- C20H26O4
- SMILES
-
O=C(C=CC(=O)OCC1CCCCC1)OCCCc1c
cccc1 - Molecular Weight1
- 330.42
- 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 | 0.8030 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.842 | Crippen Calculated Property | |
| McVol | 268.620 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | 2606.00 | NIST | |
| Tboil | 675.35 | K | Relay (1.0) Calculated Property |
| Tc | 880.80 | K | Relay (1.0) Calculated Property |
| Tfus | 307.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.955 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.80; 926.67] | J/mol×K | [859.97; 1084.33] | 
|
| Cp,gas | 846.80 | J/mol×K | 859.97 | Joback Calculated Property |
| Cp,gas | 863.50 | J/mol×K | 897.36 | Joback Calculated Property |
| Cp,gas | 878.77 | J/mol×K | 934.76 | Joback Calculated Property |
| Cp,gas | 892.67 | J/mol×K | 972.15 | Joback Calculated Property |
| Cp,gas | 905.24 | J/mol×K | 1009.54 | Joback Calculated Property |
| Cp,gas | 916.56 | J/mol×K | 1046.94 | Joback Calculated Property |
| Cp,gas | 926.67 | J/mol×K | 1084.33 | Joback Calculated Property |
| η | [0.0000488; 0.0007360] | Pa×s | [488.20; 859.97] |
|
| η | 0.0007360 | Pa×s | 488.20 | Joback Calculated Property |
| η | 0.0003630 | Pa×s | 550.16 | Joback Calculated Property |
| η | 0.0002066 | Pa×s | 612.12 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 674.09 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 736.05 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 798.01 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 859.97 | Joback Calculated Property |
Similar Compounds
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Sources
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