- InChI
- InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-13(15)11-12(2)14/h3-11H2,1-2H3
- InChI Key
- QAXKYAIESKANJL-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCCCCCCCC(=O)CC(C)=O
- Molecular Weight1
- 212.33
- CAS
- 25276-80-6
- Other Names
-
- 2,4-Tridecadione
- 2,4-Tridecanedione
- 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 | 0.6899 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.675 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 544.47 | K | Relay (1.0) Calculated Property |
| Tc | 735.86 | K | Relay (1.0) Calculated Property |
| Tfus | 315.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.11; 668.05] | 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 | 5.78900e+00 | |||
| Coefficient B | 1.18284e+00 | |||
| Coefficient C | -6.46000e-04 | |||
| Coefficient D | 1.25420e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 283.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 348.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 408.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 460.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 507.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 549.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 585.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 644.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 668.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032060; 0.0003129] | Pa×s | [336.13; 547.34] |
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 | -1.17728e+01 | |||
| Coefficient B | 2.02690e+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. | 336.13 | |||
| Temperature range, max. | 547.34 | |||
| η | 0.0032060 | Pa×s | 336.13 | Calculated Property |
| η | 0.0021630 | Pa×s | 359.60 | Calculated Property |
| η | 0.0015314 | Pa×s | 383.07 | Calculated Property |
| η | 0.0011283 | Pa×s | 406.53 | Calculated Property |
| η | 0.0008595 | Pa×s | 430.00 | Calculated Property |
| η | 0.0006735 | Pa×s | 453.47 | Calculated Property |
| η | 0.0005405 | Pa×s | 476.94 | Calculated Property |
| η | 0.0004428 | Pa×s | 500.41 | Calculated Property |
| η | 0.0003693 | Pa×s | 523.87 | Calculated Property |
| η | 0.0003129 | Pa×s | 547.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecane-2,4-dione.
Sources
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