- InChI
- InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
- InChI Key
- CGZZMOTZOONQIA-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- O=C1CCCCCC1
- Molecular Weight1
- 112.17
- CAS
- 502-42-1
- Other Names
-
- KETOCYCLOHEPTANE
- Ketoheptamethylene
- SUBERONE
- Suberon
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | [845.60; 846.30] | kJ/mol |
|
| PAff | 845.60 | kJ/mol | NIST |
| PAff | 846.30 ± 0.20 | kJ/mol | NIST |
| BasG | 815.90 | kJ/mol | NIST |
| ΔcH°liquid | [-4203.20; -4170.20] | kJ/mol |
|
| ΔcH°liquid | -4172.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -4172.00 | kJ/mol | NIST |
| ΔcH°liquid | -4170.20 ± 1.30 | kJ/mol | NIST |
| ΔcH°liquid | -4203.20 | kJ/mol | NIST |
| ΔfG° | -94.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-248.00; -247.00] | kJ/mol |
|
| ΔfH°gas | -248.00 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -247.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | [-299.00; -297.60] | kJ/mol |
|
| ΔfH°liquid | -297.60 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -299.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 2.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.50; 52.00] | kJ/mol |
|
| ΔvapH° | 50.60 | kJ/mol | NIST |
| ΔvapH° | 51.90 | kJ/mol | NIST |
| ΔvapH° | 50.70 | kJ/mol | NIST |
| ΔvapH° | 49.54 ± 0.63 | kJ/mol | NIST |
| ΔvapH° | 49.50 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 52.00 ± 1.00 | kJ/mol | NIST |
| IE | [9.14; 9.49] | eV |
|
| IE | 9.49 ± 0.01 | eV | NIST |
| IE | 9.14 | eV | NIST |
| IE | 9.17 ± 0.02 | eV | NIST |
| log10WS | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 1.910 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Inp | [979.00; 1015.50] |
|
|
| Inp | 1009.00 | NIST | |
| Inp | 1005.10 | NIST | |
| Inp | 1015.50 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1015.00 | NIST | |
| I | [1495.00; 1495.00] |
|
|
| I | 1495.00 | NIST | |
| I | 1495.00 | NIST | |
| Tboil | [451.70; 453.15] | K |
|
| Tboil | 451.70 | K | NIST |
| Tboil | 452.95 ± 0.60 | K | NIST |
| Tboil | 453.15 ± 3.00 | K | NIST |
| Tc | 689.15 | K | Joback Calculated Property |
| Tfus | 244.97 | K | Joback Calculated Property |
| Vc | 0.360 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.51; 289.79] | J/mol×K | [455.87; 689.15] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 220 240 260 280 500 550 600 650 | ||||
| Cp,gas | 202.51 | J/mol×K | 455.87 | Joback Calculated Property |
| Cp,gas | 219.00 | J/mol×K | 494.75 | Joback Calculated Property |
| Cp,gas | 234.73 | J/mol×K | 533.63 | Joback Calculated Property |
| Cp,gas | 249.68 | J/mol×K | 572.51 | Joback Calculated Property |
| Cp,gas | 263.85 | J/mol×K | 611.39 | Joback Calculated Property |
| Cp,gas | 277.23 | J/mol×K | 650.27 | Joback Calculated Property |
| Cp,gas | 289.79 | J/mol×K | 689.15 | Joback Calculated Property |
| ΔfusH | [0.43; 12.40] | kJ/mol | [227.00; 259.30] |
|
| ΔfusH | 12.40 | kJ/mol | 227.00 | NIST |
| ΔfusH | 0.43 | kJ/mol | 232.60 | NIST |
| ΔfusH | 1.39 | kJ/mol | 259.30 | NIST |
| ΔfusH | 1.39 | kJ/mol | 259.30 | NIST |
| ΔvapH | [44.80; 48.50] | kJ/mol | [383.00; 419.00] |
|
| ΔvapH | 48.50 | kJ/mol | 383.00 | NIST |
| ΔvapH | 44.80 | kJ/mol | 419.00 | NIST |
| ρl | [939.14; 951.85] | kg/m3 | [293.15; 308.15] |
|
|
T(K) Liquid Density (kg/m3) 938 940 942 944 946 948 950 952 295 300 305 | ||||
| ρl | 951.85 | kg/m3 | 293.15 | Thermod... |
| ρl | 950.20 | kg/m3 | 298.15 | Excess ... |
| ρl | 947.62 | kg/m3 | 298.15 | Thermod... |
| ρl | 943.38 | kg/m3 | 303.15 | Thermod... |
| ρl | 939.14 | kg/m3 | 308.15 | Thermod... |
| ΔfusS | [1.80; 54.60] | J/mol×K | [227.00; 259.30] |
|
| ΔfusS | 54.60 | J/mol×K | 227.00 | NIST |
| ΔfusS | 1.80 | J/mol×K | 232.60 | NIST |
| ΔfusS | 5.40 | J/mol×K | 259.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [332.06; 481.87] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39934e+01 | |||
| Coefficient B | -3.54832e+03 | |||
| Coefficient C | -7.31660e+01 | |||
| Temperature range, min. | 332.06 | |||
| Temperature range, max. | 481.87 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 332.06 | Calculated Property |
| Pvap | 3.05 | kPa | 348.71 | Calculated Property |
| Pvap | 6.36 | kPa | 365.35 | Calculated Property |
| Pvap | 12.23 | kPa | 382.00 | Calculated Property |
| Pvap | 22.01 | kPa | 398.64 | Calculated Property |
| Pvap | 37.41 | kPa | 415.29 | Calculated Property |
| Pvap | 60.53 | kPa | 431.93 | Calculated Property |
| Pvap | 93.84 | kPa | 448.58 | Calculated Property |
| Pvap | 140.18 | kPa | 465.22 | Calculated Property |
| Pvap | 202.66 | kPa | 481.87 | Calculated Property |
| Pvap | [8.31; 130.61] | kPa | [373.15; 464.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.20417e+01 | |||
| Coefficient B | -9.03252e+03 | |||
| Coefficient C | -1.12400e+01 | |||
| Coefficient D | 6.06481e-06 | |||
| Temperature range, min. | 373.15 | |||
| Temperature range, max. | 464.15 | |||
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 120 140 400 450 | ||||
| Pvap | 8.31 | kPa | 373.15 | Calculated Property |
| Pvap | 12.20 | kPa | 383.26 | Calculated Property |
| Pvap | 17.50 | kPa | 393.37 | Calculated Property |
| Pvap | 24.57 | kPa | 403.48 | Calculated Property |
| Pvap | 33.80 | kPa | 413.59 | Calculated Property |
| Pvap | 45.68 | kPa | 423.71 | Calculated Property |
| Pvap | 60.70 | kPa | 433.82 | Calculated Property |
| Pvap | 79.45 | kPa | 443.93 | Calculated Property |
| Pvap | 102.53 | kPa | 454.04 | Calculated Property |
| Pvap | 130.61 | kPa | 464.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptanone.
Mixtures
- Cycloheptanone + Nonane
- Tetrahydropyran + Cycloheptanone
- Cycloheptanone + 1,4-Dioxane
- Cycloheptanone + Water
- 1,3-Dioxolane + 2-Pyrrolidinone, 1-methyl- + Cycloheptanone
- 1,3-Dioxolane + Cycloheptanone + 1,4-Dioxane
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Partial molar volumes of organic solutes in water. XXIII. Cyclic ketones at T = (298 to 573) K and pressures up to 30 MPa
- Excess molar enthalpies for binary mixtures of cyclopentanone, cyclohexanone, or cycloheptanone with n-nonane at T = 298.15 K and atmospheric pressure
- Excess molar volumes and excess isentropic compressibilities of mixtures containing lactam, cyclic ethers and cyclic alkanones
- Thermodynamic Studies of Molecular Interactions in Mixtures Containing Tetrahydropyran, 1,4-dioxane and Cyclic ketones
- Odd Even Effects in the Static Dielectric Permittivity of a Homologous Series of Liquid Cycloalkanones, (CH2)n-1C-O, n = 4 to 8
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.