- InChI
- InChI=1S/C14H22O4/c1-4-18-13(17)7-5-6-10-11(15)8-14(2,3)9-12(10)16/h10H,4-9H2,1-3H3
- InChI Key
- PHXXPPSDDGEKGC-UHFFFAOYSA-N
- Formula
- C14H22O4
- SMILES
-
CCOC(=O)CCCC1C(=O)CC(C)(C)CC1=
O - Molecular Weight1
- 254.32
- 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° | -400.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.294 | Crippen Calculated Property | |
| McVol | 207.840 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Tboil | 746.77 | K | Joback Calculated Property |
| Tc | 969.97 | K | Joback Calculated Property |
| Tfus | 483.18 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.32; 735.05] | J/mol×K | [746.77; 969.97] | 
|
| Cp,gas | 634.32 | J/mol×K | 746.77 | Joback Calculated Property |
| Cp,gas | 653.29 | J/mol×K | 783.97 | Joback Calculated Property |
| Cp,gas | 671.33 | J/mol×K | 821.17 | Joback Calculated Property |
| Cp,gas | 688.49 | J/mol×K | 858.37 | Joback Calculated Property |
| Cp,gas | 704.79 | J/mol×K | 895.57 | Joback Calculated Property |
| Cp,gas | 720.30 | J/mol×K | 932.77 | Joback Calculated Property |
| Cp,gas | 735.05 | J/mol×K | 969.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane-1,3-dione, 5,5-dimethyl-2-(3'-carbethoxypropyl)-.
Sources
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