- InChI
- InChI=1S/C9H14O2/c1-7(2)9(11)5-3-8(10)4-6-9/h3,5,7,11H,4,6H2,1-2H3
- InChI Key
- CONYQDCNFROMMQ-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- CC(C)C1(O)C=CC(=O)CC1
- Molecular Weight1
- 154.21
- Other Names
-
- 4-hydroxy-crypton
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5468 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Inp | [1319.00; 1319.00] |
|
|
| Inp | 1319.00 | NIST | |
| Inp | 1319.00 | NIST | |
| I | [2269.00; 2269.00] |
|
|
| I | 2269.00 | NIST | |
| I | 2269.00 | NIST | |
| Tboil | 510.16 | K | Relay (1.0) Calculated Property |
| Tc | 730.48 | K | Relay (1.0) Calculated Property |
| Tfus | 303.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.02; 405.27] | J/mol×K | [583.83; 799.88] |
|
| Cp,gas | 331.02 | J/mol×K | 583.83 | Joback Calculated Property |
| Cp,gas | 345.00 | J/mol×K | 619.84 | Joback Calculated Property |
| Cp,gas | 358.22 | J/mol×K | 655.85 | Joback Calculated Property |
| Cp,gas | 370.78 | J/mol×K | 691.85 | Joback Calculated Property |
| Cp,gas | 382.75 | J/mol×K | 727.86 | Joback Calculated Property |
| Cp,gas | 394.22 | J/mol×K | 763.87 | Joback Calculated Property |
| Cp,gas | 405.27 | J/mol×K | 799.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-cryptone.
Sources
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