- InChI
- InChI=1S/C18H26O4/c1-13(2)12-21-17(19)10-5-6-11-18(20)22-16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3
- InChI Key
- WLAAZWPBTZUWOS-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
Cc1cccc(OC(=O)CCCCC(=O)OCC(C)C
)c1C - Molecular Weight1
- 306.40
- 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 | 0.8642 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | 2236.00 | NIST | |
| Tboil | 618.82 | K | Relay (1.0) Calculated Property |
| Tc | 817.91 | K | Relay (1.0) Calculated Property |
| Tfus | 311.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.951 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.07; 839.79] | J/mol×K | [800.02; 1002.86] | 
|
| Cp,gas | 761.07 | J/mol×K | 800.02 | Joback Calculated Property |
| Cp,gas | 776.84 | J/mol×K | 833.83 | Joback Calculated Property |
| Cp,gas | 791.53 | J/mol×K | 867.63 | Joback Calculated Property |
| Cp,gas | 805.16 | J/mol×K | 901.44 | Joback Calculated Property |
| Cp,gas | 817.74 | J/mol×K | 935.25 | Joback Calculated Property |
| Cp,gas | 829.27 | J/mol×K | 969.06 | Joback Calculated Property |
| Cp,gas | 839.79 | J/mol×K | 1002.86 | Joback Calculated Property |
| η | [0.0000667; 0.0006911] | Pa×s | [473.40; 800.02] |
|
| η | 0.0006911 | Pa×s | 473.40 | Joback Calculated Property |
| η | 0.0003829 | Pa×s | 527.84 | Joback Calculated Property |
| η | 0.0002369 | Pa×s | 582.27 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 636.71 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 691.15 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 745.58 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 800.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,3-dimethylphenyl isobutyl ester.
Sources
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