- InChI
- InChI=1S/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h3-12H2,1-2H3
- InChI Key
- KPVFRXPKBAAIIE-UHFFFAOYSA-N
- Formula
- C13H26O
- SMILES
- CCCCCCCC(=O)CCCCC
- Molecular Weight1
- 198.34
- CAS
- 22026-12-6
- Other Names
-
- n-Amyl n-heptyl ketone
- tridecan-6-one
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- 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 |
|---|---|---|---|
| ΔfG° | -70.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 4.496 | Crippen Calculated Property | |
| McVol | 195.600 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| ρc | 240.00 ± 7.93 | kg/m3 | NIST |
| Tboil | 550.71 | K | Joback Calculated Property |
| Tc | 709.30 ± 2.70 | K | NIST |
| Tfus | 286.20 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.12; 575.73] | J/mol×K | [550.71; 719.75] | 
|
| Cp,gas | 486.12 | J/mol×K | 550.71 | Joback Calculated Property |
| Cp,gas | 502.70 | J/mol×K | 578.88 | Joback Calculated Property |
| Cp,gas | 518.60 | J/mol×K | 607.06 | Joback Calculated Property |
| Cp,gas | 533.84 | J/mol×K | 635.23 | Joback Calculated Property |
| Cp,gas | 548.43 | J/mol×K | 663.40 | Joback Calculated Property |
| Cp,gas | 562.38 | J/mol×K | 691.58 | Joback Calculated Property |
| Cp,gas | 575.73 | J/mol×K | 719.75 | Joback Calculated Property |
| η | [0.0002125; 0.0042194] | Pa×s | [286.20; 550.71] |
|
| η | 0.0042194 | Pa×s | 286.20 | Joback Calculated Property |
| η | 0.0018390 | Pa×s | 330.28 | Joback Calculated Property |
| η | 0.0009747 | Pa×s | 374.37 | Joback Calculated Property |
| η | 0.0005905 | Pa×s | 418.46 | Joback Calculated Property |
| η | 0.0003936 | Pa×s | 462.54 | Joback Calculated Property |
| η | 0.0002816 | Pa×s | 506.62 | Joback Calculated Property |
| η | 0.0002125 | Pa×s | 550.71 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [405.08; 564.88] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52310e+01 | |||
| Coefficient B | -4.71493e+03 | |||
| Coefficient C | -8.95600e+01 | |||
| Temperature range, min. | 405.08 | |||
| Temperature range, max. | 564.88 | |||
| Pvap | 1.33 | kPa | 405.08 | Calculated Property |
| Pvap | 2.96 | kPa | 422.84 | Calculated Property |
| Pvap | 6.05 | kPa | 440.59 | Calculated Property |
| Pvap | 11.54 | kPa | 458.35 | Calculated Property |
| Pvap | 20.76 | kPa | 476.10 | Calculated Property |
| Pvap | 35.48 | kPa | 493.86 | Calculated Property |
| Pvap | 57.95 | kPa | 511.61 | Calculated Property |
| Pvap | 90.97 | kPa | 529.37 | Calculated Property |
| Pvap | 137.91 | kPa | 547.12 | Calculated Property |
| Pvap | 202.65 | kPa | 564.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Tridecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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