- InChI
- InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-30-26(28)20-17-18-21-27(29)31-24-22-25(2)3/h25H,4-24H2,1-3H3
- InChI Key
- AMADNXTWQYSVDF-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O
)OCCC(C)C - Molecular Weight1
- 440.70
- 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 | 1.2583 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1218.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 726.53 | kPa | Joback Calculated Property |
| Inp | [3000.00; 3000.00] |
|
|
| Inp | 3000.00 | NIST | |
| Inp | 3000.00 | NIST | |
| Tboil | 659.60 | K | Relay (1.0) Calculated Property |
| Tc | 827.82 | K | Relay (1.0) Calculated Property |
| Tfus | 292.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.04; 1514.63] | J/mol×K | [969.30; 1196.72] |
|
| Cp,gas | 1410.04 | J/mol×K | 969.30 | Joback Calculated Property |
| Cp,gas | 1431.86 | J/mol×K | 1007.20 | Joback Calculated Property |
| Cp,gas | 1451.85 | J/mol×K | 1045.11 | Joback Calculated Property |
| Cp,gas | 1470.06 | J/mol×K | 1083.01 | Joback Calculated Property |
| Cp,gas | 1486.55 | J/mol×K | 1120.91 | Joback Calculated Property |
| Cp,gas | 1501.39 | J/mol×K | 1158.81 | Joback Calculated Property |
| Cp,gas | 1514.63 | J/mol×K | 1196.72 | Joback Calculated Property |
| η | [0.0000168; 0.0004080] | Pa×s | [523.37; 969.30] |
|
| η | 0.0004080 | Pa×s | 523.37 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 597.69 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 672.01 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 746.34 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 820.66 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 894.98 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 969.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexadecyl 3-methylbutyl ester.
Sources
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