- InChI
- InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+
- InChI Key
- NSMIMJYEKVSYMT-RMKNXTFCSA-N
- Formula
- C10H18O2
- SMILES
- C=CC(C)(O)CCC=C(C)CO
- Molecular Weight1
- 170.25
- 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).
- I : 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° | -77.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 1.642 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| I | 2265.00 | NIST | |
| Tboil | 610.05 | K | Joback Calculated Property |
| Tc | 782.91 | K | Joback Calculated Property |
| Tfus | 305.72 | K | Joback Calculated Property |
| Vc | 0.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.74; 460.83] | J/mol×K | [610.05; 782.91] | 
|
| Cp,gas | 402.74 | J/mol×K | 610.05 | Joback Calculated Property |
| Cp,gas | 413.76 | J/mol×K | 638.86 | Joback Calculated Property |
| Cp,gas | 424.19 | J/mol×K | 667.67 | Joback Calculated Property |
| Cp,gas | 434.07 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 443.45 | J/mol×K | 725.29 | Joback Calculated Property |
| Cp,gas | 452.35 | J/mol×K | 754.10 | Joback Calculated Property |
| Cp,gas | 460.83 | J/mol×K | 782.91 | Joback Calculated Property |
Similar Compounds
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Sources
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