- InChI
- InChI=1S/C17H30O5/c1-4-5-6-7-10-13-21-16(19)11-8-9-12-17(20)22-15(3)14(2)18/h15H,4-13H2,1-3H3
- InChI Key
- AWMCHQPZEOUGAF-UHFFFAOYSA-N
- Formula
- C17H30O5
- SMILES
-
CCCCCCCOC(=O)CCCCC(=O)OC(C)C(C
)=O - Molecular Weight1
- 314.42
- 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° | -506.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 266.840 | ml/mol | McGowan Calculated Property |
| Pc | 1385.05 | kPa | Joback Calculated Property |
| Inp | 2131.00 | NIST | |
| Tboil | 794.37 | K | Joback Calculated Property |
| Tc | 981.67 | K | Joback Calculated Property |
| Tfus | 460.60 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.28; 894.88] | J/mol×K | [794.37; 981.67] | 
|
| Cp,gas | 814.28 | J/mol×K | 794.37 | Joback Calculated Property |
| Cp,gas | 830.08 | J/mol×K | 825.59 | Joback Calculated Property |
| Cp,gas | 844.92 | J/mol×K | 856.80 | Joback Calculated Property |
| Cp,gas | 858.81 | J/mol×K | 888.02 | Joback Calculated Property |
| Cp,gas | 871.76 | J/mol×K | 919.24 | Joback Calculated Property |
| Cp,gas | 883.78 | J/mol×K | 950.45 | Joback Calculated Property |
| Cp,gas | 894.88 | J/mol×K | 981.67 | Joback Calculated Property |
| η | [0.0000717; 0.0010403] | Pa×s | [460.60; 794.37] |
|
| η | 0.0010403 | Pa×s | 460.60 | Joback Calculated Property |
| η | 0.0005239 | Pa×s | 516.23 | Joback Calculated Property |
| η | 0.0003015 | Pa×s | 571.86 | Joback Calculated Property |
| η | 0.0001914 | Pa×s | 627.49 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 683.11 | Joback Calculated Property |
| η | 0.0000947 | Pa×s | 738.74 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 794.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptyl 3-oxobut-2-yl ester.
Sources
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