- InChI
- InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-15(16)13-14(2)3/h14H,4-13H2,1-3H3
- InChI Key
- YVVVNAZSGGAAPW-UHFFFAOYSA-N
- Formula
- C15H30O
- SMILES
- CCCCCCCCCCC(=O)CC(C)C
- Molecular Weight1
- 226.40
- 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 | 0.6976 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.132 | Crippen Calculated Property | |
| McVol | 223.780 | ml/mol | McGowan Calculated Property |
| Pc | 1494.19 | kPa | Joback Calculated Property |
| Inp | [1628.00; 1628.00] |
|
|
| Inp | 1628.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Tboil | 536.94 | K | Relay (1.0) Calculated Property |
| Tc | 724.21 | K | Relay (1.0) Calculated Property |
| Tfus | 292.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.851 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.30; 782.75] | 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 | -5.07000e+00 | |||
| Coefficient B | 1.40676e+00 | |||
| Coefficient C | -7.76700e-04 | |||
| Coefficient D | 1.57760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 402.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 472.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 535.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 590.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 640.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 683.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 721.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 754.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 782.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052077; 0.0002368] | Pa×s | [293.74; 536.40] |
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 | -1.20897e+01 | |||
| Coefficient B | 2.00685e+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. | 293.74 | |||
| Temperature range, max. | 536.40 | |||
| η | 0.0052077 | Pa×s | 293.74 | Calculated Property |
| η | 0.0029322 | Pa×s | 320.70 | Calculated Property |
| η | 0.0018048 | Pa×s | 347.66 | Calculated Property |
| η | 0.0011912 | Pa×s | 374.63 | Calculated Property |
| η | 0.0008314 | Pa×s | 401.59 | Calculated Property |
| η | 0.0006071 | Pa×s | 428.55 | Calculated Property |
| η | 0.0004601 | Pa×s | 455.51 | Calculated Property |
| η | 0.0003597 | Pa×s | 482.48 | Calculated Property |
| η | 0.0002886 | Pa×s | 509.44 | Calculated Property |
| η | 0.0002368 | Pa×s | 536.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyltetradecan-4-one.
Sources
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