- InChI
- InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
- InChI Key
- QKMOBSUDXQCKPG-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=C(C)C(=O)OCCC(C)CC
- Molecular Weight1
- 170.25
- CAS
- 113615-00-2
- 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° | -123.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1147.70; 1147.70] |
|
|
| Inp | 1147.70 | NIST | |
| Inp | 1147.70 | NIST | |
| Tboil | 500.61 | K | Joback Calculated Property |
| Tc | 682.86 | K | Joback Calculated Property |
| Tfus | 243.90 | K | Joback Calculated Property |
| Vc | 0.596 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.92; 426.29] | J/mol×K | [500.61; 682.86] |
|
| Cp,gas | 349.92 | J/mol×K | 500.61 | Joback Calculated Property |
| Cp,gas | 364.09 | J/mol×K | 530.98 | Joback Calculated Property |
| Cp,gas | 377.66 | J/mol×K | 561.36 | Joback Calculated Property |
| Cp,gas | 390.66 | J/mol×K | 591.73 | Joback Calculated Property |
| Cp,gas | 403.09 | J/mol×K | 622.11 | Joback Calculated Property |
| Cp,gas | 414.96 | J/mol×K | 652.48 | Joback Calculated Property |
| Cp,gas | 426.29 | J/mol×K | 682.86 | Joback Calculated Property |
Similar Compounds
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Sources
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