- InChI
- InChI=1S/C23H42O4/c1-3-5-7-9-10-11-12-13-17-21-27-23(25)19-15-14-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6+
- InChI Key
- ZWARPTMKQWJFDV-SOFGYWHQSA-N
- Formula
- C23H42O4
- SMILES
-
CCC=CCCOC(=O)CCCCC(=O)OCCCCCCC
CCCC - Molecular Weight1
- 382.58
- 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 | 1.0689 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.520 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 928.37 | kPa | Joback Calculated Property |
| Inp | [2626.00; 2626.00] |
|
|
| Inp | 2626.00 | NIST | |
| Inp | 2626.00 | NIST | |
| Tboil | 635.14 | K | Relay (1.0) Calculated Property |
| Tc | 806.42 | K | Relay (1.0) Calculated Property |
| Tfus | 261.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.308 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1127.87; 1224.91] | J/mol×K | [882.38; 1080.29] |
|
| Cp,gas | 1127.87 | J/mol×K | 882.38 | Joback Calculated Property |
| Cp,gas | 1146.91 | J/mol×K | 915.36 | Joback Calculated Property |
| Cp,gas | 1164.75 | J/mol×K | 948.35 | Joback Calculated Property |
| Cp,gas | 1181.44 | J/mol×K | 981.33 | Joback Calculated Property |
| Cp,gas | 1197.00 | J/mol×K | 1014.32 | Joback Calculated Property |
| Cp,gas | 1211.47 | J/mol×K | 1047.30 | Joback Calculated Property |
| Cp,gas | 1224.91 | J/mol×K | 1080.29 | Joback Calculated Property |
| η | [0.0000299; 0.0005530] | Pa×s | [488.21; 882.38] |
|
| η | 0.0005530 | Pa×s | 488.21 | Joback Calculated Property |
| η | 0.0002548 | Pa×s | 553.90 | Joback Calculated Property |
| η | 0.0001384 | Pa×s | 619.60 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 685.30 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 750.99 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 816.68 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 882.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, trans-hex-3-enyl undecyl ester.
Sources
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