- InChI
- InChI=1S/C22H34O6/c1-17(2)16-27-20(23)14-9-7-5-6-8-10-15-21(24)28-22-18(25-3)12-11-13-19(22)26-4/h11-13,17H,5-10,14-16H2,1-4H3
- InChI Key
- TUWPXKBCVGBSMR-UHFFFAOYSA-N
- Formula
- C22H34O6
- SMILES
-
COc1cccc(OC)c1OC(=O)CCCCCCCCC(
=O)OCC(C)C - Molecular Weight1
- 394.50
- 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 | 1.1254 | Relay (1.0) Calculated Property | |
| ΔfG° | -452.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1115.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 323.700 | ml/mol | McGowan Calculated Property |
| Pc | 1139.03 | kPa | Joback Calculated Property |
| Inp | 2878.00 | NIST | |
| Tboil | 663.06 | K | Relay (1.0) Calculated Property |
| Tc | 859.16 | K | Relay (1.0) Calculated Property |
| Tfus | 339.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.213 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1055.92; 1123.93] | J/mol×K | [936.38; 1147.57] | 
|
| Cp,gas | 1055.92 | J/mol×K | 936.38 | Joback Calculated Property |
| Cp,gas | 1071.14 | J/mol×K | 971.58 | Joback Calculated Property |
| Cp,gas | 1084.81 | J/mol×K | 1006.78 | Joback Calculated Property |
| Cp,gas | 1096.93 | J/mol×K | 1041.97 | Joback Calculated Property |
| Cp,gas | 1107.49 | J/mol×K | 1077.17 | Joback Calculated Property |
| Cp,gas | 1116.49 | J/mol×K | 1112.37 | Joback Calculated Property |
| Cp,gas | 1123.93 | J/mol×K | 1147.57 | Joback Calculated Property |
| η | [0.0000212; 0.0002248] | Pa×s | [562.94; 936.38] |
|
| η | 0.0002248 | Pa×s | 562.94 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 625.18 | Joback Calculated Property |
| η | 0.0000770 | Pa×s | 687.42 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 749.66 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 811.90 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 874.14 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 936.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl isobutyl ester.
Sources
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