- InChI
- InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h9-10H,3-8H2,1-2H3/b10-9+
- InChI Key
- CCXHMPZXKYIXPU-MDZDMXLPSA-N
- Formula
- C11H20O
- SMILES
- CCCCCCCC=CC(C)=O
- Molecular Weight1
- 168.28
- CAS
- 10522-37-9
- Other Names
-
- 3-Undecen-2-one
- 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 | 0.5543 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 163.120 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [1344.00; 1424.00] |
|
|
| Inp | 1424.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Tboil | 499.54 | K | Relay (1.0) Calculated Property |
| Tc | 692.48 | K | Relay (1.0) Calculated Property |
| Tfus | 259.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.76; 545.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.39340e+01 | |||
| Coefficient B | 1.04084e+00 | |||
| Coefficient C | -6.39700e-04 | |||
| Coefficient D | 1.58060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 281.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 412.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 446.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 476.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 525.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041858; 0.0002519] | Pa×s | [258.58; 481.77] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15424e+01 | |||
| Coefficient B | 1.56863e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 258.58 | |||
| Temperature range, max. | 481.77 | |||
| η | 0.0041858 | Pa×s | 258.58 | Calculated Property |
| η | 0.0024617 | Pa×s | 283.38 | Calculated Property |
| η | 0.0015768 | Pa×s | 308.18 | Calculated Property |
| η | 0.0010793 | Pa×s | 332.98 | Calculated Property |
| η | 0.0007786 | Pa×s | 357.77 | Calculated Property |
| η | 0.0005860 | Pa×s | 382.57 | Calculated Property |
| η | 0.0004566 | Pa×s | 407.37 | Calculated Property |
| η | 0.0003661 | Pa×s | 432.17 | Calculated Property |
| η | 0.0003006 | Pa×s | 456.97 | Calculated Property |
| η | 0.0002519 | Pa×s | 481.77 | Calculated Property |
Similar Compounds
Find more compounds similar to undec-3-en-2-one.
Sources
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