- InChI
- InChI=1S/C14H24O5/c1-10(2)9-18-13(16)7-5-6-8-14(17)19-12(4)11(3)15/h10,12H,5-9H2,1-4H3
- InChI Key
- DNONBDMNPCQCCB-UHFFFAOYSA-N
- Formula
- C14H24O5
- SMILES
-
CC(=O)C(C)OC(=O)CCCCC(=O)OCC(C
)C - 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 | 0.7876 | Relay (1.0) Calculated Property | |
| ΔfG° | -534.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1108.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.267 | Crippen Calculated Property | |
| McVol | 224.570 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | 1649.00 | NIST | |
| Tboil | 554.64 | K | Relay (1.0) Calculated Property |
| Tc | 732.78 | K | Relay (1.0) Calculated Property |
| Tfus | 297.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.844 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.84; 721.49] | J/mol×K | [725.29; 913.53] | 
|
| Cp,gas | 644.84 | J/mol×K | 725.29 | Joback Calculated Property |
| Cp,gas | 659.70 | J/mol×K | 756.66 | Joback Calculated Property |
| Cp,gas | 673.72 | J/mol×K | 788.04 | Joback Calculated Property |
| Cp,gas | 686.91 | J/mol×K | 819.41 | Joback Calculated Property |
| Cp,gas | 699.26 | J/mol×K | 850.78 | Joback Calculated Property |
| Cp,gas | 710.79 | J/mol×K | 882.15 | Joback Calculated Property |
| Cp,gas | 721.49 | J/mol×K | 913.53 | Joback Calculated Property |
| η | [0.0001001; 0.0016806] | Pa×s | [411.79; 725.29] |
|
| η | 0.0016806 | Pa×s | 411.79 | Joback Calculated Property |
| η | 0.0008061 | Pa×s | 464.04 | Joback Calculated Property |
| η | 0.0004486 | Pa×s | 516.29 | Joback Calculated Property |
| η | 0.0002781 | Pa×s | 568.54 | Joback Calculated Property |
| η | 0.0001868 | Pa×s | 620.79 | Joback Calculated Property |
| η | 0.0001335 | Pa×s | 673.04 | Joback Calculated Property |
| η | 0.0001001 | Pa×s | 725.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isobutyl 3-oxobut-2-yl ester.
Sources
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