- InChI
- InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-28(30)22-19-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3
- InChI Key
- VRNNYSINFXROKB-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(
=O)OCCC(C)C - Molecular Weight1
- 468.75
- 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 | 1.3286 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1257.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 630.03 | kPa | Joback Calculated Property |
| Inp | [3206.00; 3206.00] |
|
|
| Inp | 3206.00 | NIST | |
| Inp | 3206.00 | NIST | |
| Tboil | 672.58 | K | Relay (1.0) Calculated Property |
| Tc | 844.06 | K | Relay (1.0) Calculated Property |
| Tfus | 295.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1519.86; 1625.90] | J/mol×K | [979.12; 1215.79] |
|
| Cp,gas | 1519.86 | J/mol×K | 979.12 | Joback Calculated Property |
| Cp,gas | 1542.69 | J/mol×K | 1018.57 | Joback Calculated Property |
| Cp,gas | 1563.36 | J/mol×K | 1058.01 | Joback Calculated Property |
| Cp,gas | 1581.93 | J/mol×K | 1097.46 | Joback Calculated Property |
| Cp,gas | 1598.49 | J/mol×K | 1136.90 | Joback Calculated Property |
| Cp,gas | 1613.12 | J/mol×K | 1176.35 | Joback Calculated Property |
| Cp,gas | 1625.90 | J/mol×K | 1215.79 | Joback Calculated Property |
| η | [0.0000093; 0.0005025] | Pa×s | [486.25; 979.12] |
|
| η | 0.0005025 | Pa×s | 486.25 | Joback Calculated Property |
| η | 0.0001596 | Pa×s | 568.39 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 650.54 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 732.69 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 814.83 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 896.98 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 979.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbutyl octadecyl ester.
Sources
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