- InChI
- InChI=1S/C17H32O4/c1-14(2)8-7-12-20-16(18)9-5-6-10-17(19)21-13-11-15(3)4/h14-15H,5-13H2,1-4H3
- InChI Key
- IKQHXHGLGJPBGO-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CC(C)CCCOC(=O)CCCCC(=O)OCCC(C)
C - Molecular Weight1
- 300.43
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -380.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.18 | Crippen Calculated Property | |
| logPoct/wat | 4.115 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | [1979.00; 1979.00] |
|
|
| Inp | 1979.00 | NIST | |
| Inp | 1979.00 | NIST | |
| Tboil | 740.06 | K | Joback Calculated Property |
| Tc | 920.59 | K | Joback Calculated Property |
| Tfus | 395.67 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.00; 882.59] | J/mol×K | [740.06; 920.59] |
|
| Cp,gas | 792.00 | J/mol×K | 740.06 | Joback Calculated Property |
| Cp,gas | 809.35 | J/mol×K | 770.15 | Joback Calculated Property |
| Cp,gas | 825.78 | J/mol×K | 800.24 | Joback Calculated Property |
| Cp,gas | 841.31 | J/mol×K | 830.32 | Joback Calculated Property |
| Cp,gas | 855.95 | J/mol×K | 860.41 | Joback Calculated Property |
| Cp,gas | 869.70 | J/mol×K | 890.50 | Joback Calculated Property |
| Cp,gas | 882.59 | J/mol×K | 920.59 | Joback Calculated Property |
| η | [0.0000690; 0.0016971] | Pa×s | [395.67; 740.06] |
|
| η | 0.0016971 | Pa×s | 395.67 | Joback Calculated Property |
| η | 0.0007096 | Pa×s | 453.07 | Joback Calculated Property |
| η | 0.0003610 | Pa×s | 510.47 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 567.87 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 625.26 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 682.66 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 740.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 3-methylbutyl ester.
Sources
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