- InChI
- InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
- InChI Key
- WSGCRAOTEDLMFQ-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCC(=O)CCCC
- Molecular Weight1
- 142.24
- CAS
- 502-56-7
- Other Names
-
- (n-C4H9)2CO
- 5-Oxononane
- Butyl ketone
- DI-N-BUTYL KETONE
- Dibutyl ketone
- Nonan-5-one
- di-n-Butylketone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| PAff | 853.70 | kJ/mol | NIST |
| BasG | 821.90 | kJ/mol | NIST |
| ΔcH°liquid | -5715.80 ± 1.20 | kJ/mol | NIST |
| ΔfG° | -104.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.90 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -398.20 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 20.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.20; 55.00] | kJ/mol |
|
| ΔvapH° | 40.20 | kJ/mol | NIST |
| ΔvapH° | 54.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 55.00 | kJ/mol | NIST |
| ΔvapH° | 53.30 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 53.30 ± 0.10 | kJ/mol | NIST |
| IE | [9.07; 9.71] | eV |
|
| IE | 9.07 | eV | NIST |
| IE | 9.71 | eV | NIST |
| log10WS | [-2.59; -2.58] |
|
|
| log10WS | -2.59 | Aq. Sol... | |
| log10WS | -2.58 | Estimat... | |
| logPoct/wat | 2.936 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| ρc | 254.61 ± 2.84 | kg/m3 | NIST |
| Inp | [1035.00; 1082.00] |
|
|
| Inp | 1055.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | Outlier 1035.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1051.40 | NIST | |
| Inp | 1075.30 | NIST | |
| Inp | 1073.10 | NIST | |
| Inp | 1074.50 | NIST | |
| Inp | 1077.60 | NIST | |
| Inp | 1076.20 | NIST | |
| Inp | 1076.90 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1074.00 | NIST | |
| I | [1309.90; 1360.00] |
|
|
| I | 1353.90 | NIST | |
| I | 1334.10 | NIST | |
| I | 1340.60 | NIST | |
| I | 1347.30 | NIST | |
| I | 1309.90 | NIST | |
| I | 1321.00 | NIST | |
| I | 1325.60 | NIST | |
| I | 1360.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1325.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1353.90 | NIST | |
| I | 1321.00 | NIST | |
| S°liquid | 401.40 | J/mol×K | NIST |
| Tboil | [455.00; 463.00] | K |
|
| Tboil | 459.70 | K | NIST |
| Tboil | 461.60 | K | NIST |
| Tboil | 461.90 ± 4.00 | K | NIST |
| Tboil | 461.10 ± 1.00 | K | NIST |
| Tboil | 459.00 ± 7.00 | K | NIST |
| Tboil | 461.00 ± 6.00 | K | NIST |
| Tboil | 463.00 ± 7.00 | K | NIST |
| Tboil | 460.80 ± 0.30 | K | NIST |
| Tboil | Outlier 455.00 ± 4.00 | K | NIST |
| Tc | [640.00; 641.40] | K |
|
| Tc | 641.40 ± 0.30 | K | NIST |
| Tc | 640.00 ± 4.00 | K | NIST |
| Tfus | [238.55; 268.35] | K |
|
| Tfus | 238.55 | K | Aq. Sol... |
| Tfus | 267.30 ± 1.50 | K | NIST |
| Tfus | 268.35 ± 1.50 | K | NIST |
| Ttriple | 269.31 ± 0.05 | K | NIST |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.72; 370.99] | J/mol×K | [459.19; 633.31] |
|
| Cp,gas | 297.72 | J/mol×K | 459.19 | Joback Calculated Property |
| Cp,gas | 311.23 | J/mol×K | 488.21 | Joback Calculated Property |
| Cp,gas | 324.21 | J/mol×K | 517.23 | Joback Calculated Property |
| Cp,gas | 336.66 | J/mol×K | 546.25 | Joback Calculated Property |
| Cp,gas | 348.60 | J/mol×K | 575.27 | Joback Calculated Property |
| Cp,gas | 360.04 | J/mol×K | 604.29 | Joback Calculated Property |
| Cp,gas | 370.99 | J/mol×K | 633.31 | Joback Calculated Property |
| Cp,liquid | [303.00; 306.30] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 306.30 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 303.60 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 303.00 | J/mol×K | 298.15 | NIST |
| η | [0.0002834; 0.0045015] | Pa×s | [241.12; 459.19] |
|
| η | 0.0045015 | Pa×s | 241.12 | Joback Calculated Property |
| η | 0.0020994 | Pa×s | 277.47 | Joback Calculated Property |
| η | 0.0011683 | Pa×s | 313.81 | Joback Calculated Property |
| η | 0.0007343 | Pa×s | 350.15 | Joback Calculated Property |
| η | 0.0005036 | Pa×s | 386.50 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 422.85 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 459.19 | Joback Calculated Property |
| ΔfusH | [11.27; 24.94] | kJ/mol | [269.30; 451.80] |
|
| ΔfusH | 24.94 | kJ/mol | 269.30 | NIST |
| ΔfusH | 11.27 | kJ/mol | 451.80 | NIST |
| ΔfusH | 11.27 | kJ/mol | 451.80 | NIST |
| ΔvapH | [44.70; 49.70] | kJ/mol | [412.50; 464.50] |
|
| ΔvapH | 49.70 | kJ/mol | 412.50 | NIST |
| ΔvapH | 44.70 | kJ/mol | 464.50 | NIST |
| Pvap | [0.03; 0.96] | kPa | [283.83; 337.15] |
|
| Pvap | 0.03 | kPa | 283.83 | Vapor p... |
| Pvap | 0.03 | kPa | 283.85 | Vapor p... |
| Pvap | 0.03 | kPa | 286.19 | Vapor p... |
| Pvap | 0.04 | kPa | 288.55 | Vapor p... |
| Pvap | 0.04 | kPa | 288.55 | Vapor p... |
| Pvap | 0.04 | kPa | 290.90 | Vapor p... |
| Pvap | 0.05 | kPa | 293.32 | Vapor p... |
| Pvap | 0.05 | kPa | 293.35 | Vapor p... |
| Pvap | 0.07 | kPa | 295.75 | Vapor p... |
| Pvap | 0.08 | kPa | 298.10 | Vapor p... |
| Pvap | 0.08 | kPa | 298.12 | Vapor p... |
| Pvap | 0.09 | kPa | 300.56 | Vapor p... |
| Pvap | 0.11 | kPa | 302.92 | Vapor p... |
| Pvap | 0.11 | kPa | 302.94 | Vapor p... |
| Pvap | 0.13 | kPa | 305.38 | Vapor p... |
| Pvap | 0.16 | kPa | 307.75 | Vapor p... |
| Pvap | 0.16 | kPa | 307.77 | Vapor p... |
| Pvap | 0.18 | kPa | 310.19 | Vapor p... |
| Pvap | 0.22 | kPa | 312.99 | Vapor p... |
| Pvap | 0.22 | kPa | 313.02 | Vapor p... |
| Pvap | 0.25 | kPa | 315.00 | Vapor p... |
| Pvap | 0.26 | kPa | 315.38 | Vapor p... |
| Pvap | 0.30 | kPa | 317.80 | Vapor p... |
| Pvap | 0.30 | kPa | 317.81 | Vapor p... |
| Pvap | 0.35 | kPa | 320.16 | Vapor p... |
| Pvap | 0.35 | kPa | 320.18 | Vapor p... |
| Pvap | 0.41 | kPa | 322.58 | Vapor p... |
| Pvap | 0.41 | kPa | 322.62 | Vapor p... |
| Pvap | 0.48 | kPa | 324.99 | Vapor p... |
| Pvap | 0.47 | kPa | 325.05 | Vapor p... |
| Pvap | 0.55 | kPa | 327.44 | Vapor p... |
| Pvap | 0.55 | kPa | 327.49 | Vapor p... |
| Pvap | 0.63 | kPa | 329.90 | Vapor p... |
| Pvap | 0.64 | kPa | 329.95 | Vapor p... |
| Pvap | 0.73 | kPa | 332.32 | Vapor p... |
| Pvap | 0.73 | kPa | 332.35 | Vapor p... |
| Pvap | 0.83 | kPa | 334.71 | Vapor p... |
| Pvap | 0.84 | kPa | 334.74 | Vapor p... |
| Pvap | 0.96 | kPa | 337.13 | Vapor p... |
| Pvap | 0.95 | kPa | 337.15 | Vapor p... |
| ΔfusS | [24.94; 92.59] | J/mol×K | [269.30; 451.80] |
|
| ΔfusS | 92.59 | J/mol×K | 269.30 | NIST |
| ΔfusS | 24.94 | J/mol×K | 451.80 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [346.78; 484.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54166e+01 | |||
| Coefficient B | -4.19534e+03 | |||
| Coefficient C | -6.94750e+01 | |||
| Temperature range, min. | 346.78 | |||
| Temperature range, max. | 484.65 | |||
| Pvap | 1.33 | kPa | 346.78 | Calculated Property |
| Pvap | 2.94 | kPa | 362.10 | Calculated Property |
| Pvap | 6.01 | kPa | 377.42 | Calculated Property |
| Pvap | 11.45 | kPa | 392.74 | Calculated Property |
| Pvap | 20.61 | kPa | 408.06 | Calculated Property |
| Pvap | 35.23 | kPa | 423.37 | Calculated Property |
| Pvap | 57.62 | kPa | 438.69 | Calculated Property |
| Pvap | 90.60 | kPa | 454.01 | Calculated Property |
| Pvap | 137.61 | kPa | 469.33 | Calculated Property |
| Pvap | 202.67 | kPa | 484.65 | Calculated Property |
| Pvap | [0.01; 178.28] | kPa | [276.15; 485.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.69946e+02 | |||
| Coefficient B | -1.28651e+04 | |||
| Coefficient C | -2.29607e+01 | |||
| Coefficient D | 1.59500e-05 | |||
| Temperature range, min. | 276.15 | |||
| Temperature range, max. | 485.15 | |||
| Pvap | 0.01 | kPa | 276.15 | Calculated Property |
| Pvap | 0.08 | kPa | 299.37 | Calculated Property |
| Pvap | 0.41 | kPa | 322.59 | Calculated Property |
| Pvap | 1.53 | kPa | 345.82 | Calculated Property |
| Pvap | 4.66 | kPa | 369.04 | Calculated Property |
| Pvap | 11.99 | kPa | 392.26 | Calculated Property |
| Pvap | 26.99 | kPa | 415.48 | Calculated Property |
| Pvap | 54.72 | kPa | 438.71 | Calculated Property |
| Pvap | 102.07 | kPa | 461.93 | Calculated Property |
| Pvap | 178.28 | kPa | 485.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Nonanone.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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