- InChI
- InChI=1S/C13H22O2/c1-8(2)12(14)15-11-6-5-9-7-10(11)13(9,3)4/h8-11H,5-7H2,1-4H3/t9-,10-,11+/m1/s1
- InChI Key
- GUQHUQNPSNWPID-MXWKQRLJSA-N
- Formula
- C13H22O2
- SMILES
- CC(C)C(=O)OC1CCC2CC1C2(C)C
- Molecular Weight1
- 210.31
- 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).
- 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° | -89.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 179.750 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | 1524.00 | NIST | |
| Tboil | 581.34 | K | Joback Calculated Property |
| Tc | 789.76 | K | Joback Calculated Property |
| Tfus | 341.21 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.15; 593.95] | J/mol×K | [581.34; 789.76] | 
|
| Cp,gas | 490.15 | J/mol×K | 581.34 | Joback Calculated Property |
| Cp,gas | 509.86 | J/mol×K | 616.08 | Joback Calculated Property |
| Cp,gas | 528.45 | J/mol×K | 650.81 | Joback Calculated Property |
| Cp,gas | 546.02 | J/mol×K | 685.55 | Joback Calculated Property |
| Cp,gas | 562.72 | J/mol×K | 720.29 | Joback Calculated Property |
| Cp,gas | 578.65 | J/mol×K | 755.03 | Joback Calculated Property |
| Cp,gas | 593.95 | J/mol×K | 789.76 | Joback Calculated Property |
Similar Compounds
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Sources
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