- InChI
- InChI=1S/C20H38O5/c1-17(2)15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-16-18(3)13-14-23-4/h17-18H,5-16H2,1-4H3
- InChI Key
- ZGNCEECORMLRJR-UHFFFAOYSA-N
- Formula
- C20H38O5
- SMILES
-
COCCC(C)COC(=O)CCCCCCCCC(=O)OC
C(C)C - Molecular Weight1
- 358.51
- Other Names
-
- Sebacic acid, isobutyl 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 | 1.0113 | Relay (1.0) Calculated Property | |
| ΔfG° | -460.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1213.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.522 | Crippen Calculated Property | |
| McVol | 313.410 | ml/mol | McGowan Calculated Property |
| Pc | 1077.10 | kPa | Joback Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 624.21 | K | Relay (1.0) Calculated Property |
| Tc | 782.27 | K | Relay (1.0) Calculated Property |
| Tfus | 255.82 | 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 | [1001.80; 1093.35] | J/mol×K | [831.12; 1019.53] | 
|
| Cp,gas | 1001.80 | J/mol×K | 831.12 | Joback Calculated Property |
| Cp,gas | 1019.93 | J/mol×K | 862.52 | Joback Calculated Property |
| Cp,gas | 1036.90 | J/mol×K | 893.92 | Joback Calculated Property |
| Cp,gas | 1052.72 | J/mol×K | 925.33 | Joback Calculated Property |
| Cp,gas | 1067.40 | J/mol×K | 956.73 | Joback Calculated Property |
| Cp,gas | 1080.94 | J/mol×K | 988.13 | Joback Calculated Property |
| Cp,gas | 1093.35 | J/mol×K | 1019.53 | Joback Calculated Property |
| η | [0.0000335; 0.0007901] | Pa×s | [451.71; 831.12] |
|
| η | 0.0007901 | Pa×s | 451.71 | Joback Calculated Property |
| η | 0.0003376 | Pa×s | 514.95 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 578.18 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 641.41 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 704.65 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 767.88 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 831.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-methoxy-2-methylbutyl ester.
Sources
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