- InChI
- InChI=1S/C28H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-31-27(29)22-19-20-23-28(30)32-26(6-2)25(3)4/h25-26H,5-24H2,1-4H3
- InChI Key
- QBGNOYDDDAWVJW-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O
)OC(CC)C(C)C - Molecular Weight1
- 454.73
- 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 | 1.2561 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1246.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.549 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 693.25 | kPa | Joback Calculated Property |
| Inp | [3027.00; 3027.00] |
|
|
| Inp | 3027.00 | NIST | |
| Inp | 3027.00 | NIST | |
| Tboil | 663.82 | K | Relay (1.0) Calculated Property |
| Tc | 836.59 | K | Relay (1.0) Calculated Property |
| Tfus | 289.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1475.15; 1579.83] | J/mol×K | [991.74; 1227.53] |
|
| Cp,gas | 1475.15 | J/mol×K | 991.74 | Joback Calculated Property |
| Cp,gas | 1497.37 | J/mol×K | 1031.04 | Joback Calculated Property |
| Cp,gas | 1517.59 | J/mol×K | 1070.34 | Joback Calculated Property |
| Cp,gas | 1535.87 | J/mol×K | 1109.64 | Joback Calculated Property |
| Cp,gas | 1552.29 | J/mol×K | 1148.93 | Joback Calculated Property |
| Cp,gas | 1566.92 | J/mol×K | 1188.23 | Joback Calculated Property |
| Cp,gas | 1579.83 | J/mol×K | 1227.53 | Joback Calculated Property |
| η | [0.0000131; 0.0004088] | Pa×s | [519.64; 991.74] |
|
| η | 0.0004088 | Pa×s | 519.64 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 598.32 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 677.01 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 755.69 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 834.37 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 913.06 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 991.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexadecyl 2-methylpent-3-yl ester.
Sources
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