- InChI
- InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
- InChI Key
- IYTXKIXETAELAV-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCCCC(=O)CC
- Molecular Weight1
- 142.24
- CAS
- 925-78-0
- Other Names
-
- Ethyl hexyl ketone
- Ethyl n-hexyl ketone
- n-Hexyl ethyl ketone
- nonan-3-one
- 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).
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5127 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [56.40; 56.60] | kJ/mol |
|
| ΔvapH° | 56.60 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 56.40 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 56.40 | kJ/mol | NIST |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| 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 | [1064.00; 1091.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Ip | [1335.00; 1385.00] |
|
|
| Ip | Outlier 1385.00 | NIST | |
| Ip | Outlier 1335.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1361.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Tboil | [459.00; 461.50] | K |
|
| Tboil | 460.70 | K | NIST |
| Tboil | 461.50 ± 1.50 | K | NIST |
| Tboil | 459.00 ± 4.00 | K | NIST |
| Tc | [648.10; 648.10] | K |
|
| Tc | 648.10 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 648.10 ± 0.25 | K | NIST |
| Tfus | [265.00; 265.15] | K |
|
| Tfus | 265.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 265.00 ± 4.00 | K | NIST |
| Vc | 0.560 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [52.60; 55.60] | kJ/mol | [369.50; 401.50] |
|
| ΔvapH | 55.60 | kJ/mol | 369.50 | NIST |
| ΔvapH | 52.70 | kJ/mol | 386.00 | NIST |
| ΔvapH | 52.60 | kJ/mol | 401.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.33; 472.67] | 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 | 2.06600e+00 | |||
| Coefficient B | 8.30840e-01 | |||
| Coefficient C | -4.47100e-04 | |||
| Coefficient D | 8.68600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 243.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 412.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 435.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 455.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 472.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026596; 0.0002941] | Pa×s | [265.07; 453.67] |
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 | -1.12265e+01 | |||
| Coefficient B | 1.40407e+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. | 265.07 | |||
| Temperature range, max. | 453.67 | |||
| η | 0.0026596 | Pa×s | 265.07 | Calculated Property |
| η | 0.0018042 | Pa×s | 286.03 | Calculated Property |
| η | 0.0012905 | Pa×s | 306.99 | Calculated Property |
| η | 0.0009635 | Pa×s | 327.94 | Calculated Property |
| η | 0.0007450 | Pa×s | 348.89 | Calculated Property |
| η | 0.0005931 | Pa×s | 369.85 | Calculated Property |
| η | 0.0004839 | Pa×s | 390.80 | Calculated Property |
| η | 0.0004030 | Pa×s | 411.76 | Calculated Property |
| η | 0.0003417 | Pa×s | 432.71 | Calculated Property |
| η | 0.0002941 | Pa×s | 453.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [348.02; 487.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53074e+01 | |||
| Coefficient B | -4.17721e+03 | |||
| Coefficient C | -6.99060e+01 | |||
| Temperature range, min. | 348.02 | |||
| Temperature range, max. | 487.80 | |||
| Pvap | 1.33 | kPa | 348.02 | Calculated Property |
| Pvap | 2.95 | kPa | 363.55 | Calculated Property |
| Pvap | 6.03 | kPa | 379.08 | Calculated Property |
| Pvap | 11.51 | kPa | 394.61 | Calculated Property |
| Pvap | 20.70 | kPa | 410.14 | Calculated Property |
| Pvap | 35.38 | kPa | 425.68 | Calculated Property |
| Pvap | 57.81 | kPa | 441.21 | Calculated Property |
| Pvap | 90.82 | kPa | 456.74 | Calculated Property |
| Pvap | 137.78 | kPa | 472.27 | Calculated Property |
| Pvap | 202.66 | kPa | 487.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nonanone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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