- InChI
- InChI=1S/C14H28O/c1-4-13(2)11-9-7-5-6-8-10-12-14(3)15/h13H,4-12H2,1-3H3
- InChI Key
- RGQOHKMKTPQXIW-UHFFFAOYSA-N
- Formula
- C14H28O
- SMILES
- CCC(C)CCCCCCCCC(C)=O
- Molecular Weight1
- 212.38
- 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 | 0.6695 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.742 | Crippen Calculated Property | |
| McVol | 209.690 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 544.40 | K | Relay (1.0) Calculated Property |
| Tc | 723.79 | K | Relay (1.0) Calculated Property |
| Tfus | 279.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.08; 731.16] | 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 | -4.16100e+00 | |||
| Coefficient B | 1.31176e+00 | |||
| Coefficient C | -7.22300e-04 | |||
| Coefficient D | 1.45860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 375.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 499.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 552.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 598.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 638.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 673.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 704.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 731.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056093; 0.0002526] | Pa×s | [282.47; 521.04] |
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 | -1.19546e+01 | |||
| Coefficient B | 1.91269e+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. | 282.47 | |||
| Temperature range, max. | 521.04 | |||
| η | 0.0056093 | Pa×s | 282.47 | Calculated Property |
| η | 0.0031377 | Pa×s | 308.98 | Calculated Property |
| η | 0.0019240 | Pa×s | 335.49 | Calculated Property |
| η | 0.0012673 | Pa×s | 361.99 | Calculated Property |
| η | 0.0008837 | Pa×s | 388.50 | Calculated Property |
| η | 0.0006453 | Pa×s | 415.01 | Calculated Property |
| η | 0.0004893 | Pa×s | 441.52 | Calculated Property |
| η | 0.0003828 | Pa×s | 468.02 | Calculated Property |
| η | 0.0003075 | Pa×s | 494.53 | Calculated Property |
| η | 0.0002526 | Pa×s | 521.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-Methyl-2-tridecanone.
Sources
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