- InChI
- InChI=1S/C17H32O4/c1-4-5-6-9-13-20-16(18)10-7-8-11-17(19)21-14-12-15(2)3/h15H,4-14H2,1-3H3
- InChI Key
- PKUSJQIUSYROMX-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
- CCCCCCOC(=O)CCCCC(=O)OCCC(C)C
- Molecular Weight1
- 300.44
- 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 | 0.9062 | Relay (1.0) Calculated Property | |
| ΔfG° | -530.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1021.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1246.85 | kPa | Joback Calculated Property |
| Inp | [2014.00; 2014.00] |
|
|
| Inp | 2014.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Tboil | 588.62 | K | Relay (1.0) Calculated Property |
| Tc | 753.48 | K | Relay (1.0) Calculated Property |
| Tfus | 240.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.023 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.88; 867.40] | J/mol×K | [704.56; 877.98] |
|
| Cp,gas | 775.88 | J/mol×K | 704.56 | Joback Calculated Property |
| Cp,gas | 793.38 | J/mol×K | 733.46 | Joback Calculated Property |
| Cp,gas | 809.97 | J/mol×K | 762.37 | Joback Calculated Property |
| Cp,gas | 825.65 | J/mol×K | 791.27 | Joback Calculated Property |
| Cp,gas | 840.45 | J/mol×K | 820.17 | Joback Calculated Property |
| Cp,gas | 854.36 | J/mol×K | 849.08 | Joback Calculated Property |
| Cp,gas | 867.40 | J/mol×K | 877.98 | Joback Calculated Property |
| η | [0.0000604; 0.0029834] | Pa×s | [351.01; 704.56] |
|
| η | 0.0029834 | Pa×s | 351.01 | Joback Calculated Property |
| η | 0.0009760 | Pa×s | 409.94 | Joback Calculated Property |
| η | 0.0004229 | Pa×s | 468.86 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 527.78 | Joback Calculated Property |
| η | 0.0001314 | Pa×s | 586.71 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 645.63 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 704.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexyl 3-methylbutyl ester.
Sources
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