- InChI
- InChI=1S/C13H18O5/c1-13(2)6-9(15)12(10(16)7-13)8(14)4-3-5-11(17)18/h12H,3-7H2,1-2H3,(H,17,18)
- InChI Key
- UDRPIGWMAPUXKP-UHFFFAOYSA-N
- Formula
- C13H18O5
- SMILES
-
CC1(C)CC(=O)C(C(=O)CCCC(=O)O)C
(=O)C1 - Molecular Weight1
- 254.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -570.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 195.320 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Tboil | 847.52 | K | Joback Calculated Property |
| Tc | 1068.75 | K | Joback Calculated Property |
| Tfus | 560.43 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.27; 706.65] | J/mol×K | [847.52; 1068.75] | 
|
| Cp,gas | 627.27 | J/mol×K | 847.52 | Joback Calculated Property |
| Cp,gas | 641.98 | J/mol×K | 884.39 | Joback Calculated Property |
| Cp,gas | 656.03 | J/mol×K | 921.26 | Joback Calculated Property |
| Cp,gas | 669.46 | J/mol×K | 958.14 | Joback Calculated Property |
| Cp,gas | 682.34 | J/mol×K | 995.01 | Joback Calculated Property |
| Cp,gas | 694.72 | J/mol×K | 1031.88 | Joback Calculated Property |
| Cp,gas | 706.65 | J/mol×K | 1068.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanevaleric acid, 4,4-dimethyl-d,2,6-trioxo-.
Sources
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