- InChI
- InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-20-24-28(30)32-26-22-8-6-4-2/h6,8H,3-5,7,9-27H2,1-2H3/b8-6+
- InChI Key
- HVGZSWXSJBLGNE-SOFGYWHQSA-N
- Formula
- C29H54O4
- SMILES
-
CCC=CCCOC(=O)CCCCC(=O)OCCCCCCC
CCCCCCCCCC - Molecular Weight1
- 466.74
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -194.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.42 | kJ/mol | Joback Calculated Property |
| log10WS | -9.54 | Crippen Calculated Property | |
| logPoct/wat | 8.861 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 671.85 | kPa | Joback Calculated Property |
| Inp | [3235.00; 3235.00] |
|
|
| Inp | 3235.00 | NIST | |
| Inp | 3235.00 | NIST | |
| Tboil | 1019.66 | K | Joback Calculated Property |
| Tc | 1269.19 | K | Joback Calculated Property |
| Tfus | 555.83 | K | Joback Calculated Property |
| Vc | 1.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1511.50; 1621.89] | J/mol×K | [1019.66; 1269.19] |
|
| Cp,gas | 1511.50 | J/mol×K | 1019.66 | Joback Calculated Property |
| Cp,gas | 1534.47 | J/mol×K | 1061.25 | Joback Calculated Property |
| Cp,gas | 1555.46 | J/mol×K | 1102.84 | Joback Calculated Property |
| Cp,gas | 1574.59 | J/mol×K | 1144.42 | Joback Calculated Property |
| Cp,gas | 1591.97 | J/mol×K | 1186.01 | Joback Calculated Property |
| Cp,gas | 1607.70 | J/mol×K | 1227.60 | Joback Calculated Property |
| Cp,gas | 1621.89 | J/mol×K | 1269.19 | Joback Calculated Property |
| η | [0.0000118; 0.0002552] | Pa×s | [555.83; 1019.66] |
|
| η | 0.0002552 | Pa×s | 555.83 | Joback Calculated Property |
| η | 0.0001119 | Pa×s | 633.13 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 710.44 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 787.74 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 865.05 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 942.36 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 1019.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptadecyl trans-hex-3-enyl ester.
Sources
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