- InChI
- InChI=1S/C9H14O2/c1-5-8(4)6-11-9(10)7(2)3/h5H,2,6H2,1,3-4H3/b8-5+
- InChI Key
- ZHJOZVKIWDMOFL-VMPITWQZSA-N
- Formula
- C9H14O2
- SMILES
- C=C(C)C(=O)OCC(C)=CC
- Molecular Weight1
- 154.21
- CAS
- 88142-95-4
- 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° | -58.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.072 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | [1087.60; 1087.60] |
|
|
| Inp | 1087.60 | NIST | |
| Inp | 1087.60 | NIST | |
| Tboil | 482.21 | K | Joback Calculated Property |
| Tc | 674.32 | K | Joback Calculated Property |
| Tfus | 228.59 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.32; 355.89] | J/mol×K | [482.21; 674.32] |
|
| Cp,gas | 288.32 | J/mol×K | 482.21 | Joback Calculated Property |
| Cp,gas | 301.01 | J/mol×K | 514.23 | Joback Calculated Property |
| Cp,gas | 313.11 | J/mol×K | 546.25 | Joback Calculated Property |
| Cp,gas | 324.62 | J/mol×K | 578.26 | Joback Calculated Property |
| Cp,gas | 335.58 | J/mol×K | 610.28 | Joback Calculated Property |
| Cp,gas | 346.00 | J/mol×K | 642.30 | Joback Calculated Property |
| Cp,gas | 355.89 | J/mol×K | 674.32 | Joback Calculated Property |
Similar Compounds
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Sources
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