- InChI
- InChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
- InChI Key
- RCFOEQFXUGQOMT-XBLVEGMJSA-N
- Formula
- C11H18O
- SMILES
- CCCCCC=CC=CC(C)=O
- Molecular Weight1
- 166.26
- CAS
- 68973-20-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 | 0.4770 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| Inp | [1342.00; 1386.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Tboil | 497.39 | K | Relay (1.0) Calculated Property |
| Tc | 686.50 | K | Relay (1.0) Calculated Property |
| Tfus | 299.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.66; 430.53] | J/mol×K | [513.47; 700.29] |
|
| Cp,gas | 353.66 | J/mol×K | 513.47 | Joback Calculated Property |
| Cp,gas | 368.22 | J/mol×K | 544.61 | Joback Calculated Property |
| Cp,gas | 382.04 | J/mol×K | 575.74 | Joback Calculated Property |
| Cp,gas | 395.14 | J/mol×K | 606.88 | Joback Calculated Property |
| Cp,gas | 407.57 | J/mol×K | 638.01 | Joback Calculated Property |
| Cp,gas | 419.35 | J/mol×K | 669.15 | Joback Calculated Property |
| Cp,gas | 430.53 | J/mol×K | 700.29 | Joback Calculated Property |
| η | [0.0001784; 0.0039020] | Pa×s | [253.50; 513.47] |
|
| η | 0.0039020 | Pa×s | 253.50 | Joback Calculated Property |
| η | 0.0016031 | Pa×s | 296.83 | Joback Calculated Property |
| η | 0.0008261 | Pa×s | 340.16 | Joback Calculated Property |
| η | 0.0004945 | Pa×s | 383.49 | Joback Calculated Property |
| η | 0.0003285 | Pa×s | 426.81 | Joback Calculated Property |
| η | 0.0002353 | Pa×s | 470.14 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 513.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-undecadien-2-one.
Sources
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