- InChI
- InChI=1S/C23H36O6/c1-4-5-12-18-28-21(24)16-10-8-6-7-9-11-17-22(25)29-23-19(26-2)14-13-15-20(23)27-3/h13-15H,4-12,16-18H2,1-3H3
- InChI Key
- MRTXDSAAZJSVHQ-UHFFFAOYSA-N
- Formula
- C23H36O6
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)Oc1c(O
C)cccc1OC - Molecular Weight1
- 408.53
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -441.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.463 | Crippen Calculated Property | |
| McVol | 337.790 | ml/mol | McGowan Calculated Property |
| Pc | 1063.10 | kPa | Joback Calculated Property |
| Inp | 3043.00 | NIST | |
| Tboil | 959.70 | K | Joback Calculated Property |
| Tc | 1174.95 | K | Joback Calculated Property |
| Tfus | 589.21 | K | Joback Calculated Property |
| Vc | 1.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1116.25; 1183.51] | J/mol×K | [959.70; 1174.95] | 
|
| Cp,gas | 1116.25 | J/mol×K | 959.70 | Joback Calculated Property |
| Cp,gas | 1131.58 | J/mol×K | 995.58 | Joback Calculated Property |
| Cp,gas | 1145.26 | J/mol×K | 1031.45 | Joback Calculated Property |
| Cp,gas | 1157.29 | J/mol×K | 1067.33 | Joback Calculated Property |
| Cp,gas | 1167.68 | J/mol×K | 1103.20 | Joback Calculated Property |
| Cp,gas | 1176.42 | J/mol×K | 1139.08 | Joback Calculated Property |
| Cp,gas | 1183.51 | J/mol×K | 1174.95 | Joback Calculated Property |
| η | [0.0000200; 0.0001843] | Pa×s | [589.21; 959.70] |
|
| η | 0.0001843 | Pa×s | 589.21 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 650.96 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 712.71 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 774.46 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 836.20 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 897.95 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 959.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl pentyl ester.
Sources
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