- InChI
- InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
- InChI Key
- HCFAJYNVAYBARA-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CCCC(=O)CCC
- Molecular Weight1
- 114.19
- CAS
- 123-19-3
- Other Names
-
- (n-C3H7)2CO
- BUTYRONE
- Di-n-propyl ketone
- Dipropyl ketone
- GBL
- Heptan-4-one
- NSC 8692
- PROPYL KETONE
- UN 2710
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 845.00 | kJ/mol | NIST |
| BasG | 815.30 | kJ/mol | NIST |
| ΔfG° | -120.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.30 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.20; 47.80] | kJ/mol |
|
| ΔvapH° | 47.80 | kJ/mol | NIST |
| ΔvapH° | 46.20 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 46.70 | kJ/mol | NIST |
| IE | [9.04; 9.84] | eV |
|
| IE | 9.10 ± 0.04 | eV | NIST |
| IE | 9.04 ± 0.02 | eV | NIST |
| IE | 9.10 ± 0.01 | eV | NIST |
| IE | 9.15 | eV | NIST |
| IE | Outlier 9.84 | eV | NIST |
| IE | 9.12 ± 0.03 | eV | NIST |
| log10WS | [-1.30; -1.30] |
|
|
| log10WS | -1.30 | Aq. Sol... | |
| log10WS | -1.30 | Estimat... | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| ρc | 262.63 ± 3.43 | kg/m3 | NIST |
| Inp | [817.00; 878.00] |
|
|
| Inp | 853.40 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | Outlier 817.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 853.40 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 857.00 | NIST | |
| I | [1118.00; 1170.00] |
|
|
| I | 1157.10 | NIST | |
| I | 1139.40 | NIST | |
| I | 1145.00 | NIST | |
| I | 1151.10 | NIST | |
| I | 1120.80 | NIST | |
| I | 1131.90 | NIST | |
| I | 1135.50 | NIST | |
| I | 1118.00 | NIST | |
| I | Outlier 1170.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1162.00 | NIST | |
| I | 1139.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1118.00 | NIST | |
| I | 1157.10 | NIST | |
| I | 1131.90 | NIST | |
| Tboil | [413.15; 424.65] | K |
|
| Tboil | 416.67 | K | KDB |
| Tboil | 417.20 | K | NIST |
| Tboil | 415.65 ± 3.00 | K | NIST |
| Tboil | 414.65 ± 5.00 | K | NIST |
| Tboil | 416.65 ± 1.00 | K | NIST |
| Tboil | 416.15 ± 2.00 | K | NIST |
| Tboil | 415.40 ± 1.50 | K | NIST |
| Tboil | 416.15 ± 3.00 | K | NIST |
| Tboil | 417.15 ± 0.50 | K | NIST |
| Tboil | 418.40 ± 1.00 | K | NIST |
| Tboil | 417.65 ± 1.00 | K | NIST |
| Tboil | 416.70 ± 1.00 | K | NIST |
| Tboil | 416.70 ± 0.50 | K | NIST |
| Tboil | 417.15 ± 1.00 | K | NIST |
| Tboil | 419.15 ± 2.00 | K | NIST |
| Tboil | 417.20 ± 0.50 | K | NIST |
| Tboil | 416.65 ± 2.00 | K | NIST |
| Tboil | Outlier 424.65 ± 5.00 | K | NIST |
| Tboil | 419.15 ± 2.00 | K | NIST |
| Tboil | 417.23 ± 0.20 | K | NIST |
| Tboil | 416.05 ± 2.00 | K | NIST |
| Tboil | 414.15 ± 3.00 | K | NIST |
| Tboil | 415.65 ± 2.00 | K | NIST |
| Tboil | 417.40 ± 0.50 | K | NIST |
| Tboil | 417.25 ± 0.50 | K | NIST |
| Tboil | 417.15 ± 1.00 | K | NIST |
| Tboil | 418.15 ± 1.00 | K | NIST |
| Tboil | 416.67 ± 0.20 | K | NIST |
| Tboil | 416.65 ± 0.50 | K | NIST |
| Tboil | 416.65 ± 1.00 | K | NIST |
| Tboil | 413.15 ± 5.00 | K | NIST |
| Tboil | 413.15 ± 5.00 | K | NIST |
| Tc | 602.00 ± 0.20 | K | NIST |
| Tfus | [240.60; 240.70] | K |
|
| Tfus | 240.70 ± 0.50 | K | NIST |
| Tfus | 240.60 ± 0.20 | K | NIST |
| Ttriple | 241.77 | K | Thermod... |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.46; 277.17] | J/mol×K | [413.43; 590.00] |
|
| Cp,gas | 215.46 | J/mol×K | 413.43 | Joback Calculated Property |
| Cp,gas | 226.81 | J/mol×K | 442.86 | Joback Calculated Property |
| Cp,gas | 237.73 | J/mol×K | 472.29 | Joback Calculated Property |
| Cp,gas | 248.21 | J/mol×K | 501.71 | Joback Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 531.14 | Joback Calculated Property |
| Cp,gas | 267.92 | J/mol×K | 560.57 | Joback Calculated Property |
| Cp,gas | 277.17 | J/mol×K | 590.00 | Joback Calculated Property |
| η | [0.0003013; 0.0041439] | Pa×s | [218.58; 413.43] |
|
| η | 0.0041439 | Pa×s | 218.58 | Joback Calculated Property |
| η | 0.0020181 | Pa×s | 251.05 | Joback Calculated Property |
| η | 0.0011589 | Pa×s | 283.53 | Joback Calculated Property |
| η | 0.0007459 | Pa×s | 316.00 | Joback Calculated Property |
| η | 0.0005212 | Pa×s | 348.48 | Joback Calculated Property |
| η | 0.0003871 | Pa×s | 380.95 | Joback Calculated Property |
| η | 0.0003013 | Pa×s | 413.43 | Joback Calculated Property |
| ΔfusH | [16.16; 17.53] | kJ/mol | [236.00; 240.20] |
|
| ΔfusH | 17.53 | kJ/mol | 236.00 | NIST |
| ΔfusH | 16.16 | kJ/mol | 240.20 | NIST |
| ΔfusH | 16.16 | kJ/mol | 240.20 | NIST |
| ΔvapH | [40.70; 57.50] | kJ/mol | [303.00; 397.00] |
|
| ΔvapH | 40.70 | kJ/mol | 303.00 | NIST |
| ΔvapH | 57.50 | kJ/mol | 356.50 | NIST |
| ΔvapH | 45.50 | kJ/mol | 397.00 | NIST |
| Pvap | [14.54; 91.55] | kPa | [358.74; 413.43] |
|
| Pvap | 14.54 | kPa | 358.74 | Vapor L... |
| Pvap | 17.72 | kPa | 363.42 | Vapor L... |
| Pvap | 22.69 | kPa | 370.01 | Vapor L... |
| Pvap | 29.93 | kPa | 377.77 | Vapor L... |
| Pvap | 36.63 | kPa | 383.70 | Vapor L... |
| Pvap | 40.00 | kPa | 385.47 | Vapor L... |
| Pvap | 40.00 | kPa | 385.50 | Vapor L... |
| Pvap | 40.00 | kPa | 385.87 | Vapor L... |
| Pvap | 43.17 | kPa | 388.63 | Vapor L... |
| Pvap | 50.95 | kPa | 393.78 | Vapor L... |
| Pvap | 59.15 | kPa | 398.38 | Vapor L... |
| Pvap | 69.39 | kPa | 403.74 | Vapor L... |
| Pvap | 78.55 | kPa | 407.98 | Vapor L... |
| Pvap | 86.20 | kPa | 411.20 | Vapor L... |
| Pvap | 91.55 | kPa | 413.43 | Vapor L... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [311.22; 442.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50215e+01 | |||
| Coefficient B | -3.74392e+03 | |||
| Coefficient C | -5.71180e+01 | |||
| Temperature range, min. | 311.22 | |||
| Temperature range, max. | 442.69 | |||
| Pvap | 1.33 | kPa | 311.22 | Calculated Property |
| Pvap | 2.97 | kPa | 325.83 | Calculated Property |
| Pvap | 6.09 | kPa | 340.44 | Calculated Property |
| Pvap | 11.64 | kPa | 355.04 | Calculated Property |
| Pvap | 20.95 | kPa | 369.65 | Calculated Property |
| Pvap | 35.77 | kPa | 384.26 | Calculated Property |
| Pvap | 58.34 | kPa | 398.87 | Calculated Property |
| Pvap | 91.41 | kPa | 413.47 | Calculated Property |
| Pvap | 138.26 | kPa | 428.08 | Calculated Property |
| Pvap | 202.65 | kPa | 442.69 | Calculated Property |
| Pvap | [0.07; 67.42] | kPa | [267.15; 405.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.51465e+02 | |||
| Coefficient B | -1.08461e+04 | |||
| Coefficient C | -2.05602e+01 | |||
| Coefficient D | 1.80628e-05 | |||
| Temperature range, min. | 267.15 | |||
| Temperature range, max. | 405.15 | |||
| Pvap | 0.07 | kPa | 267.15 | Calculated Property |
| Pvap | 0.22 | kPa | 282.48 | Calculated Property |
| Pvap | 0.62 | kPa | 297.82 | Calculated Property |
| Pvap | 1.57 | kPa | 313.15 | Calculated Property |
| Pvap | 3.52 | kPa | 328.48 | Calculated Property |
| Pvap | 7.25 | kPa | 343.82 | Calculated Property |
| Pvap | 13.81 | kPa | 359.15 | Calculated Property |
| Pvap | 24.66 | kPa | 374.48 | Calculated Property |
| Pvap | 41.72 | kPa | 389.82 | Calculated Property |
| Pvap | 67.42 | kPa | 405.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanone.
Mixtures
- 4-Heptanone + 2-Pyrrolidinone, 1-methyl-
- 4-Heptanone + Octane
- 4-Heptanone + Nonane
- 4-Heptanone + Decane
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the solid-liquid equilibrium and vapou-liquid equilibrium. The Modified UNIFAC (Do) model characterization
- (Liquid + liquid) phase equilibria of 1-alkyl-3-methylimidazolium methylsulfate with alcohols, or ethers, or ketones
- Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
- Phase Equilibria of (1-Ethyl-3-methylimidazolium Ethylsulfate + Hydrocarbon, + Ketone, and + Ether) Binary Systems
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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