- InChI
- InChI=1S/C10H18O3/c1-9(2,12)8-4-5-10(3,13-8)6-7-11/h7-8,12H,4-6H2,1-3H3/t8-,10+/m0/s1
- InChI Key
- WRGPONPRWKAHCK-WCBMZHEXSA-N
- Formula
- C10H18O3
- SMILES
- CC1(CC=O)CCC(C(C)(C)O)O1
- Molecular Weight1
- 186.25
- 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).
- 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° | -262.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.87 | Crippen Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 154.210 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | 1254.00 | NIST | |
| Tboil | 603.61 | K | Joback Calculated Property |
| Tc | 803.67 | K | Joback Calculated Property |
| Tfus | 364.83 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.96; 499.77] | J/mol×K | [603.61; 803.67] | 
|
| Cp,gas | 424.96 | J/mol×K | 603.61 | Joback Calculated Property |
| Cp,gas | 439.14 | J/mol×K | 636.95 | Joback Calculated Property |
| Cp,gas | 452.49 | J/mol×K | 670.30 | Joback Calculated Property |
| Cp,gas | 465.13 | J/mol×K | 703.64 | Joback Calculated Property |
| Cp,gas | 477.14 | J/mol×K | 736.98 | Joback Calculated Property |
| Cp,gas | 488.65 | J/mol×K | 770.33 | Joback Calculated Property |
| Cp,gas | 499.77 | J/mol×K | 803.67 | Joback Calculated Property |
Similar Compounds
Sources
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