- InChI
- InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3
- InChI Key
- WHOYVNZMAORLBI-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)C1(O)C=CC(C)(O)CC1
- Molecular Weight1
- 170.25
- CAS
- 21473-37-0
- 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° | -207.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.475 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | [1270.40; 1273.00] |
|
|
| Inp | 1270.40 | NIST | |
| Inp | 1273.00 | NIST | |
| Tboil | 626.64 | K | Joback Calculated Property |
| Tc | 820.71 | K | Joback Calculated Property |
| Tfus | 360.80 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.11; 477.96] | J/mol×K | [626.64; 820.71] |
|
| Cp,gas | 407.11 | J/mol×K | 626.64 | Joback Calculated Property |
| Cp,gas | 419.81 | J/mol×K | 658.98 | Joback Calculated Property |
| Cp,gas | 431.96 | J/mol×K | 691.33 | Joback Calculated Property |
| Cp,gas | 443.70 | J/mol×K | 723.67 | Joback Calculated Property |
| Cp,gas | 455.19 | J/mol×K | 756.02 | Joback Calculated Property |
| Cp,gas | 466.56 | J/mol×K | 788.36 | Joback Calculated Property |
| Cp,gas | 477.96 | J/mol×K | 820.71 | Joback Calculated Property |
Similar Compounds
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Sources
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