- InChI
- InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
- InChI Key
- SCABKEBYDRTODC-UHFFFAOYSA-N
- Formula
- C22H42O8
- SMILES
-
CCCCOCCOCCOC(=O)CCCCC(=O)OCCOC
COCCCC - Molecular Weight1
- 434.57
- Other Names
-
- Adipic acid, bis(2-(2-butoxyethoxy)ethyl) ester
- Dibutoxyethoxyethyl adipate
- Hexanedioic acid, bis[2-(2-butoxyethoxy)ethyl] ester
- TP-95
- Wareflex
- bis(2-(2-butoxyethoxy)ethyl) adipate
- 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).
- 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° | -906.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1604.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 359.200 | ml/mol | McGowan Calculated Property |
| Pc | 871.19 | kPa | Joback Calculated Property |
| Tboil | 673.56 | K | Relay (1.0) Calculated Property |
| Tc | 826.15 | K | Relay (1.0) Calculated Property |
| Tfus | 226.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.378 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.48; 1244.55] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.35708e+02 | |||
| Coefficient B | 1.73144e+00 | |||
| Coefficient C | -5.39800e-04 | |||
| Coefficient D | -8.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 566.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 677.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 779.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 873.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 958.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1034.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1101.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1159.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1206.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1244.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [1.6736821; 0.0000175] | Pa×s | [226.15; 781.40] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.56236e+01 | |||
| Coefficient B | 3.64976e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 226.15 | |||
| Temperature range, max. | 781.40 | |||
| η | 1.6736821 | Pa×s | 226.15 | Calculated Property |
| η | 0.0526529 | Pa×s | 287.84 | Calculated Property |
| η | 0.0056166 | Pa×s | 349.54 | Calculated Property |
| η | 0.0011726 | Pa×s | 411.23 | Calculated Property |
| η | 0.0003684 | Pa×s | 472.93 | Calculated Property |
| η | 0.0001512 | Pa×s | 534.62 | Calculated Property |
| η | 0.0000746 | Pa×s | 596.32 | Calculated Property |
| η | 0.0000420 | Pa×s | 658.01 | Calculated Property |
| η | 0.0000261 | Pa×s | 719.71 | Calculated Property |
| η | 0.0000175 | Pa×s | 781.40 | Calculated Property |
Similar Compounds
Find more compounds similar to DIBUTOXYETHOXY ETHYL ADIPATE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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