- InChI
- InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
- InChI Key
- NEHDRDVHPTWWFG-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCC
CC - Molecular Weight1
- 370.57
- CAS
- 123-79-5
- Other Names
-
- Adiimoll DO
- Dioctyl adipate
- Dioctyl ester of hexanedioic acid
- Dioctyl hexanedioate
- Hexanedioic acid, 1,6-dioctyl ester
- NSC 16201
- Octyl adipate
- adimoll DO
- adipic acid, dioctyl ester
- di-n-octyl adipate
- hexanedioic acid dioctyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 1.1212 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1108.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.354 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 953.78 | kPa | Joback Calculated Property |
| Inp | [398.20; 398.20] |
|
|
| Inp | 398.20 | NIST | |
| Inp | 398.20 | NIST | |
| Inp | 398.20 | NIST | |
| I | [2834.00; 2846.00] |
|
|
| I | 2846.00 | NIST | |
| I | 2846.00 | NIST | |
| I | 2834.00 | NIST | |
| I | 2846.00 | NIST | |
| I | 2834.00 | NIST | |
| Tboil | 625.74 | K | Relay (1.0) Calculated Property |
| Tc | 793.88 | K | Relay (1.0) Calculated Property |
| Tfus | 289.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.06; 1189.55] | J/mol×K | [855.34; 1047.20] |
|
| Cp,gas | 1092.06 | J/mol×K | 855.34 | Joback Calculated Property |
| Cp,gas | 1111.23 | J/mol×K | 887.32 | Joback Calculated Property |
| Cp,gas | 1129.19 | J/mol×K | 919.29 | Joback Calculated Property |
| Cp,gas | 1145.99 | J/mol×K | 951.27 | Joback Calculated Property |
| Cp,gas | 1161.63 | J/mol×K | 983.25 | Joback Calculated Property |
| Cp,gas | 1176.14 | J/mol×K | 1015.23 | Joback Calculated Property |
| Cp,gas | 1189.55 | J/mol×K | 1047.20 | Joback Calculated Property |
| η | [0.0000397; 0.0006693] | Pa×s | [482.02; 855.34] |
|
| η | 0.0006693 | Pa×s | 482.02 | Joback Calculated Property |
| η | 0.0003195 | Pa×s | 544.24 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 606.46 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 668.68 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 730.90 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 793.12 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 855.34 | Joback Calculated Property |
| ΔvapH | 99.00 | kJ/mol | 433.00 | NIST |
Similar Compounds
Find more compounds similar to Hexanedioic acid, dioctyl ester.
Mixtures
- Furfural + Water + Hexanedioic acid, dioctyl ester
- Pentanoic acid, 4-oxo- + Water + Hexanedioic acid, dioctyl ester
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- Joback Method
- McGowan Method
- NIST Webbook
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