- InChI
- InChI=1S/C17H32O4/c1-6-7-12-20-15(18)10-8-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3
- InChI Key
- XSCNOJMTCNMZEE-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCOC(=O)CCCCC(=O)OC(C(C)C)C(
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° | -382.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1337.84 | kPa | Joback Calculated Property |
| Inp | [1901.00; 1901.00] |
|
|
| Inp | 1901.00 | NIST | |
| Inp | 1901.00 | NIST | |
| Tboil | 739.62 | K | Joback Calculated Property |
| Tc | 922.00 | K | Joback Calculated Property |
| Tfus | 380.67 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.48; 883.84] | J/mol×K | [739.62; 922.00] |
|
| Cp,gas | 792.48 | J/mol×K | 739.62 | Joback Calculated Property |
| Cp,gas | 810.02 | J/mol×K | 770.02 | Joback Calculated Property |
| Cp,gas | 826.62 | J/mol×K | 800.41 | Joback Calculated Property |
| Cp,gas | 842.29 | J/mol×K | 830.81 | Joback Calculated Property |
| Cp,gas | 857.04 | J/mol×K | 861.21 | Joback Calculated Property |
| Cp,gas | 870.89 | J/mol×K | 891.60 | Joback Calculated Property |
| Cp,gas | 883.84 | J/mol×K | 922.00 | Joback Calculated Property |
| η | [0.0000636; 0.0021500] | Pa×s | [380.67; 739.62] |
|
| η | 0.0021500 | Pa×s | 380.67 | Joback Calculated Property |
| η | 0.0008028 | Pa×s | 440.50 | Joback Calculated Property |
| η | 0.0003794 | Pa×s | 500.32 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 560.14 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 619.97 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 679.80 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 739.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl 2,4-dimethylpent-3-yl ester.
Sources
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