- InChI
- InChI=1S/C20H38O5/c1-4-5-15-24-19(21)12-10-8-6-7-9-11-13-20(22)25-17-18(2)14-16-23-3/h18H,4-17H2,1-3H3
- InChI Key
- ZECWZISLSRGOPO-UHFFFAOYSA-N
- Formula
- C20H38O5
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCC(C)C
COC - Molecular Weight1
- 358.51
- Other Names
-
- Sebacic acid, butyl 4-methoxy-2-methylphenyl ester
- 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 | 1.0359 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1196.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.666 | Crippen Calculated Property | |
| McVol | 313.410 | ml/mol | McGowan Calculated Property |
| Pc | 1071.46 | kPa | Joback Calculated Property |
| Inp | 2461.00 | NIST | |
| Tboil | 625.05 | K | Relay (1.0) Calculated Property |
| Tc | 786.81 | K | Relay (1.0) Calculated Property |
| Tfus | 244.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1001.32; 1092.80] | J/mol×K | [831.56; 1019.41] | 
|
| Cp,gas | 1001.32 | J/mol×K | 831.56 | Joback Calculated Property |
| Cp,gas | 1019.40 | J/mol×K | 862.87 | Joback Calculated Property |
| Cp,gas | 1036.34 | J/mol×K | 894.18 | Joback Calculated Property |
| Cp,gas | 1052.14 | J/mol×K | 925.48 | Joback Calculated Property |
| Cp,gas | 1066.81 | J/mol×K | 956.79 | Joback Calculated Property |
| Cp,gas | 1080.36 | J/mol×K | 988.10 | Joback Calculated Property |
| Cp,gas | 1092.80 | J/mol×K | 1019.41 | Joback Calculated Property |
| η | [0.0000365; 0.0006668] | Pa×s | [466.71; 831.56] |
|
| η | 0.0006668 | Pa×s | 466.71 | Joback Calculated Property |
| η | 0.0003109 | Pa×s | 527.52 | Joback Calculated Property |
| η | 0.0001697 | Pa×s | 588.33 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 649.13 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 709.94 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 770.75 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 831.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 4-methoxy-2-methylbutyl ester.
Sources
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