- InChI
- InChI=1S/C10H16O3/c1-5-3-4-7-6(2)9(11)13-10(12)8(5)7/h5-9,11H,3-4H2,1-2H3/t5-,6+,7+,8+,9?/m0/s1
- InChI Key
- PLWVFYKDQKCFIY-ICHFNJPQSA-N
- Formula
- C10H16O3
- SMILES
- CC1CCC2C(C)C(O)OC(=O)C12
- Molecular Weight1
- 184.23
- 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° | -250.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.160 | Crippen Calculated Property | |
| McVol | 143.350 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1535.00] |
|
|
| Inp | 1535.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Tboil | 627.43 | K | Joback Calculated Property |
| Tc | 838.04 | K | Joback Calculated Property |
| Tfus | 370.67 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.16; 512.78] | J/mol×K | [627.43; 838.04] |
|
| Cp,gas | 425.16 | J/mol×K | 627.43 | Joback Calculated Property |
| Cp,gas | 442.13 | J/mol×K | 662.53 | Joback Calculated Property |
| Cp,gas | 458.15 | J/mol×K | 697.63 | Joback Calculated Property |
| Cp,gas | 473.22 | J/mol×K | 732.74 | Joback Calculated Property |
| Cp,gas | 487.34 | J/mol×K | 767.84 | Joback Calculated Property |
| Cp,gas | 500.52 | J/mol×K | 802.94 | Joback Calculated Property |
| Cp,gas | 512.78 | J/mol×K | 838.04 | Joback Calculated Property |
Similar Compounds
Sources
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