- InChI
- InChI=1S/C18H34O4/c1-13(2)11-15(5)21-17(19)9-7-8-10-18(20)22-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
- InChI Key
- LYHRWRRIMHVFFZ-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCC(=O)OC(C)
CC(C)C - Molecular Weight1
- 314.46
- CAS
- 55125-22-9
- Other Names
-
- Adipic acid, bis(1,3-dimethylbutyl) ester
- di-(1,3-Dimethylbutyl)adipate
- Adipic acid, di(4-methylpent-2-yl) 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).
- 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 | 0.8364 | Relay (... Calculated Property | |
| ΔfG° | -376.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1106.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.46 | kJ/mol | Relay (... Calculated Property |
| IE | 9.47 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 4.502 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1255.70 | kPa | Joback Calculated Property |
| Inp | [1864.00; 1885.00] |
|
|
| Inp | 1885.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Tboil | 564.24 | K | Relay (... Calculated Property |
| Tc | 733.42 | K | Relay (... Calculated Property |
| Tfus | 253.74 | K | Relay (... Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.43; 944.75] | J/mol×K | [762.06; 946.82] |
|
| Cp,gas | 851.43 | J/mol×K | 762.06 | Joback Calculated Property |
| Cp,gas | 869.48 | J/mol×K | 792.85 | Joback Calculated Property |
| Cp,gas | 886.51 | J/mol×K | 823.65 | Joback Calculated Property |
| Cp,gas | 902.54 | J/mol×K | 854.44 | Joback Calculated Property |
| Cp,gas | 917.58 | J/mol×K | 885.24 | Joback Calculated Property |
| Cp,gas | 931.65 | J/mol×K | 916.03 | Joback Calculated Property |
| Cp,gas | 944.75 | J/mol×K | 946.82 | Joback Calculated Property |
| η | [0.0000509; 0.0024596] | Pa×s | [376.94; 762.06] |
|
| η | 0.0024596 | Pa×s | 376.94 | Joback Calculated Property |
| η | 0.0008051 | Pa×s | 441.13 | Joback Calculated Property |
| η | 0.0003500 | Pa×s | 505.31 | Joback Calculated Property |
| η | 0.0001836 | Pa×s | 569.50 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 633.69 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 697.87 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 762.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, bis(1,3-dimethylbutyl) ester.
Sources
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