- InChI
- InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h10H,4,6,8H2,1-3H3
- InChI Key
- HWVNLGPDLREHJB-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CC#CC(C)(O)CCCC
- Molecular Weight1
- 140.22
- CAS
- 74514-59-3
- 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).
- 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 | 0.5538 | Relay (... Calculated Property | |
| ΔfG° | 93.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.91 | kJ/mol | Relay (... Calculated Property |
| IE | 9.63 | eV | Relay (... Calculated Property |
| log10WS | -1.58 | Relay (... Calculated Property | |
| logPoct/wat | 1.951 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Tboil | 448.89 | K | Relay (... Calculated Property |
| Tc | 646.33 | K | Relay (... Calculated Property |
| Tfus | 256.85 | K | Relay (... Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.46; 370.37] | J/mol×K | [503.27; 691.70] | 
|
| Cp,gas | 304.46 | J/mol×K | 503.27 | Joback Calculated Property |
| Cp,gas | 316.95 | J/mol×K | 534.67 | Joback Calculated Property |
| Cp,gas | 328.80 | J/mol×K | 566.08 | Joback Calculated Property |
| Cp,gas | 340.04 | J/mol×K | 597.48 | Joback Calculated Property |
| Cp,gas | 350.69 | J/mol×K | 628.89 | Joback Calculated Property |
| Cp,gas | 360.79 | J/mol×K | 660.29 | Joback Calculated Property |
| Cp,gas | 370.37 | J/mol×K | 691.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C9H16O.
Sources
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