- InChI
- InChI=1S/C14H24O5/c1-4-5-10-18-13(16)8-6-7-9-14(17)19-12(3)11(2)15/h12H,4-10H2,1-3H3
- InChI Key
- VSRDRFACHKTMJU-UHFFFAOYSA-N
- Formula
- C14H24O5
- SMILES
- CCCCOC(=O)CCCCC(=O)OC(C)C(C)=O
- Molecular Weight1
- 272.34
- 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 | 0.8138 | Relay (1.0) Calculated Property | |
| ΔfG° | -532.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1091.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 224.570 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | 1802.00 | NIST | |
| Tboil | 558.12 | K | Relay (1.0) Calculated Property |
| Tc | 735.80 | K | Relay (1.0) Calculated Property |
| Tfus | 287.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.31; 720.18] | J/mol×K | [725.73; 911.61] | 
|
| Cp,gas | 644.31 | J/mol×K | 725.73 | Joback Calculated Property |
| Cp,gas | 658.97 | J/mol×K | 756.71 | Joback Calculated Property |
| Cp,gas | 672.82 | J/mol×K | 787.69 | Joback Calculated Property |
| Cp,gas | 685.86 | J/mol×K | 818.67 | Joback Calculated Property |
| Cp,gas | 698.10 | J/mol×K | 849.65 | Joback Calculated Property |
| Cp,gas | 709.54 | J/mol×K | 880.63 | Joback Calculated Property |
| Cp,gas | 720.18 | J/mol×K | 911.61 | Joback Calculated Property |
| η | [0.0001084; 0.0013982] | Pa×s | [426.79; 725.73] |
|
| η | 0.0013982 | Pa×s | 426.79 | Joback Calculated Property |
| η | 0.0007307 | Pa×s | 476.61 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 526.44 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 576.26 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 626.08 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 675.91 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 725.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl 3-oxobut-2-yl ester.
Sources
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