- InChI
- InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
- InChI Key
- WZXQWLWGLWIQGK-UHFFFAOYSA-N
- Formula
- C14H20O4
- SMILES
-
COC1=C(C)C(=O)C(C(=O)C(C)C)C(=
O)C1(C)C - Molecular Weight1
- 252.31
- CAS
- 22595-52-4
- 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.
- I : 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° | -392.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.926 | Crippen Calculated Property | |
| McVol | 203.540 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Inp | [1698.00; 1698.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1698.00 | NIST | |
| I | [2288.00; 2303.00] |
|
|
| I | 2288.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2288.00 | NIST | |
| Tboil | 755.45 | K | Joback Calculated Property |
| Tc | 985.94 | K | Joback Calculated Property |
| Tfus | 493.98 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.91; 704.61] | J/mol×K | [755.45; 985.94] |
|
| Cp,gas | 607.91 | J/mol×K | 755.45 | Joback Calculated Property |
| Cp,gas | 626.12 | J/mol×K | 793.86 | Joback Calculated Property |
| Cp,gas | 643.45 | J/mol×K | 832.28 | Joback Calculated Property |
| Cp,gas | 659.93 | J/mol×K | 870.69 | Joback Calculated Property |
| Cp,gas | 675.59 | J/mol×K | 909.11 | Joback Calculated Property |
| Cp,gas | 690.47 | J/mol×K | 947.52 | Joback Calculated Property |
| Cp,gas | 704.61 | J/mol×K | 985.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tasmanone.
Sources
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