- InChI
- InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
- InChI Key
- JBKVHLHDHHXQEQ-UHFFFAOYSA-N
- Formula
- C6H11NO
- SMILES
- O=C1CCCCCN1
- Molecular Weight1
- 113.16
- CAS
- 105-60-2
- Other Names
-
- .epsilon.-caprolactam
- .omega.-caprolactam
- 1,6-Hexolactam
- 1-Aza-2-cycloheptanone
- 2-Azacycloheptanone
- 2-Azepanone
- 2-Ketohexamethyleneimine
- 2-Ketohexamethylenimine
- 2-Oxohexamethyleneimine
- 2-Oxohexamethylenimine
- 2-Perhydroazepinone
- 2H-Azepin-2-one, hexahydro-
- 2H-Azepin-7-one, hexahydro-
- 6-Aminocaproic acid lactam
- 6-Aminohexanoic acid cyclic lactam
- 6-Aminohexanoic acid lactam
- 6-Caprolactam
- 6-Hexanelactam
- 6-aminohexanoic acid, .epsilon.-lactam
- A1030
- ATM 2(NYLON)
- Akulon
- Alkamid
- Amilan cm 1001
- Amilan cm 1001C
- Amilan cm 1001G
- Amilan cm 1011
- Aminocaproic lactam
- Azepan-2-one
- Bonamid
- CM 1001
- CM 1011
- CM 1031
- CM 1041
- Capran 77C
- Capran 80
- Caprolattame
- Caprolon B
- Caprolon V
- Capron
- Capron 8250
- Capron 8252
- Capron 8253
- Capron 8256
- Capron 8257
- Capron B
- Capron GR 8256
- Capron GR 8258
- Capron PK4
- Chemlon
- Danamid
- Dull 704
- Durethan bk
- Durethan bk 30S
- Durethan bkv 30H
- Durethan bkv 55H
- EPSILON-CAPROLACTAM
- Epsylon kaprolaktam
- Ertalon 6sa
- Extrom 6N
- Grilon
- Hexahydro-2-azepinone
- Hexahydro-2H-azepin-2-one
- Hexamethylenimine, 2-oxo-
- Hexano-6-lactam
- Hexanoic acid, 6-amino-, cyclic lactam
- Hexanoic acid, 6-amino-, lactam
- Hexanolactam
- Hexanonisoxim
- Itamid
- Itamid 250
- Itamide 25
- Itamide 250
- Itamide 250G
- Itamide 35
- Itamide 350
- Itamide S
- Kaprolit
- Kaprolit B
- Kaprolon
- Kaprolon B
- Kapromine
- Kapron
- Kapron A
- Kapron B
- Maranyl F 114
- Maranyl F 124
- Maranyl F 500
- Metamid
- Miramid H 2
- Miramid wm 55
- NCI-C50646
- Nylon A1035sf
- Nylon X 1051
- Nylon cm 1031
- Orgamid RMNOCD
- Orgamide
- PA 6
- PK 4
- PKA
- Plaskin 8200
- Plaskon 201
- Plaskon 8201
- Plaskon 8201hs
- Plaskon 8202C
- Plaskon 8205
- Plaskon 8207
- Plaskon 8252
- Plaskon xp 607
- Polyamide pk 4
- Relon P
- Renyl MV
- Sipas 60
- Spencer 401
- Spencer 601
- Steelon
- Stilon
- Stylon
- Tarlon X-A
- Tarlon XB
- Tarnamid T
- Tarnamid T 2
- Tarnamid T 27
- Torayca N 6
- UBE 1022B
- Ultramid B 3
- Ultramid B 4
- Ultramid B 5
- Ultramid BMK
- Vidlon
- Widlon
- Zytel 211
- caproic acid, 6-amino, .epsilon.-lactam
- hexanoic acid, 6-amino, .epsilon.-lactam
- «epsilon»-Caprolactam
- «omega»-Caprolactam
- «epsilon»-Caprolactam
- «omega»-Caprolactam
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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°solid : Solid 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid 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 |
|---|---|---|---|
| ΔcH°solid | [-3603.80; -3588.00] | kJ/mol |
|
| ΔcH°solid | -3603.80 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3603.70 ± 0.84 | kJ/mol | NIST |
| ΔcH°solid | -3588.00 ± 6.30 | kJ/mol | NIST |
| ΔfG° | -15.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.60 | kJ/mol | NIST |
| ΔfH°solid | -329.40 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 16.16 | kJ/mol | Solid-L... |
| ΔsubH° | [87.30; 89.76] | kJ/mol |
|
| ΔsubH° | 87.30 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 89.76 ± 0.81 | kJ/mol | NIST |
| ΔvapH° | 40.86 | kJ/mol | Joback Calculated Property |
| IE | [9.07; 9.19] | eV |
|
| IE | 9.07 ± 0.02 | eV | NIST |
| IE | 9.19 | eV | NIST |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 0.677 | Crippen Calculated Property | |
| McVol | 96.090 | ml/mol | McGowan Calculated Property |
| Pc | 4621.41 | kPa | Joback Calculated Property |
| Inp | [215.49; 1266.00] |
|
|
| Inp | 1252.90 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 215.49 | NIST | |
| Inp | 217.00 | NIST | |
| Inp | 1252.90 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 215.49 | NIST | |
| S°solid,1 bar | [168.40; 173.21] | J/mol×K |
|
| S°solid,1 bar | 173.21 | J/mol×K | NIST |
| S°solid,1 bar | 168.40 | J/mol×K | NIST |
| S°solid,1 bar | 168.60 | J/mol×K | NIST |
| S°solid,1 bar | 168.60 | J/mol×K | NIST |
| Tboil | 481.54 | K | Joback Calculated Property |
| Tc | 801.00 | K | Critica... |
| Tfus | [342.20; 342.35] | K |
|
| Tfus | 342.21 | K | Thermod... |
| Tfus | 342.30 ± 0.50 | K | NIST |
| Tfus | 342.25 | K | NIST |
| Tfus | 342.35 ± 0.03 | K | NIST |
| Tfus | 342.20 ± 0.50 | K | NIST |
| Ttriple | [342.30; 342.31] | K |
|
| Ttriple | 342.31 ± 0.01 | K | NIST |
| Ttriple | 342.30 ± 0.01 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.77; 283.37] | J/mol×K | [481.54; 725.38] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 220 240 260 280 500 600 700 | ||||
| Cp,gas | 200.77 | J/mol×K | 481.54 | Joback Calculated Property |
| Cp,gas | 216.38 | J/mol×K | 522.18 | Joback Calculated Property |
| Cp,gas | 231.29 | J/mol×K | 562.82 | Joback Calculated Property |
| Cp,gas | 245.47 | J/mol×K | 603.46 | Joback Calculated Property |
| Cp,gas | 258.90 | J/mol×K | 644.10 | Joback Calculated Property |
| Cp,gas | 271.55 | J/mol×K | 684.74 | Joback Calculated Property |
| Cp,gas | 283.37 | J/mol×K | 725.38 | Joback Calculated Property |
| Cp,solid | [156.30; 158.10] | J/mol×K | [298.15; 300.00] |
|
| Cp,solid | 156.78 | J/mol×K | 298.15 | NIST |
| Cp,solid | 156.77 | J/mol×K | 298.15 | NIST |
| Cp,solid | 156.30 | J/mol×K | 300.00 | NIST |
| Cp,solid | 158.10 | J/mol×K | 300.00 | NIST |
| ΔfusH | [16.10; 16.20] | kJ/mol | [342.20; 343.30] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 16.1 16.12 16.14 16.16 16.18 16.2 342.5 343 | ||||
| ΔfusH | 16.16 | kJ/mol | 342.20 | NIST |
| ΔfusH | 16.20 | kJ/mol | 342.30 | NIST |
| ΔfusH | 16.10 | kJ/mol | 342.31 | NIST |
| ΔfusH | 16.10 | kJ/mol | 342.31 | NIST |
| ΔfusH | 16.10 | kJ/mol | 342.31 | NIST |
| ΔfusH | 16.13 | kJ/mol | 342.36 | NIST |
| ΔfusH | 16.10 | kJ/mol | 343.30 | NIST |
| ΔfusH | 16.10 | kJ/mol | 343.30 | NIST |
| ΔsubH | [77.50; 89.30] | kJ/mol | [283.00; 338.00] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 78 80 82 84 86 88 90 300 320 | ||||
| ΔsubH | 77.50 | kJ/mol | 283.00 | NIST |
| ΔsubH | 83.30 ± 0.80 | kJ/mol | 304.00 | NIST |
| ΔsubH | 86.30 | kJ/mol | 315.50 | NIST |
| ΔsubH | 86.90 | kJ/mol | 320.50 | NIST |
| ΔsubH | 89.30 ± 0.80 | kJ/mol | 335.00 | NIST |
| ΔsubH | 86.30 ± 0.20 | kJ/mol | 338.00 | NIST |
| ΔvapH | [52.40; 87.60] | kJ/mol | [298.15; 459.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 50 60 70 80 90 300 350 400 450 | ||||
| ΔvapH | 87.26 | kJ/mol | 298.15 | NIST |
| ΔvapH | 87.60 | kJ/mol | 350.03 | Thermod... |
| ΔvapH | 62.30 | kJ/mol | 458.00 | NIST |
| ΔvapH | 65.70 ± 0.30 | kJ/mol | 459.00 | NIST |
| ΔvapH | 62.30 ± 0.20 | kJ/mol | 459.00 | NIST |
| ΔvapH | 59.00 ± 0.20 | kJ/mol | 459.00 | NIST |
| ΔvapH | 55.70 ± 0.30 | kJ/mol | 459.00 | NIST |
| ΔvapH | 52.40 ± 0.50 | kJ/mol | 459.00 | NIST |
| ΔvapH | 69.20 ± 0.30 | kJ/mol | 459.00 | NIST |
| Psub | [1.53e-04; 0.02] | kPa | [293.43; 337.82] |
|
|
T(K) Sublimation pressure (kPa) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 0.02 300 310 320 330 | ||||
| Psub | 1.53e-04 | kPa | 293.43 | Thermod... |
| Psub | 2.75e-04 | kPa | 298.39 | Thermod... |
| Psub | 4.74e-04 | kPa | 303.32 | Thermod... |
| Psub | 8.13e-04 | kPa | 308.31 | Thermod... |
| Psub | 8.58e-04 | kPa | 308.38 | Thermod... |
| Psub | 1.43e-03 | kPa | 313.22 | Thermod... |
| Psub | 2.35e-03 | kPa | 318.09 | Thermod... |
| Psub | 3.93e-03 | kPa | 322.98 | Thermod... |
| Psub | 3.79e-03 | kPa | 323.06 | Thermod... |
| Psub | 6.36e-03 | kPa | 327.93 | Thermod... |
| Psub | 6.10e-03 | kPa | 328.00 | Thermod... |
| Psub | 0.01 | kPa | 332.89 | Thermod... |
| Psub | 0.01 | kPa | 332.93 | Thermod... |
| Psub | 0.02 | kPa | 337.82 | Thermod... |
| Pvap | [0.03; 0.05] | kPa | [343.00; 353.00] |
|
|
T(K) Vapor pressure (kPa) 0.03 0.03 0.04 0.04 0.05 0.05 0.06 345 350 | ||||
| Pvap | 0.03 | kPa | 343.00 | Solid-L... |
| Pvap | 0.04 | kPa | 347.90 | Solid-L... |
| Pvap | 0.04 | kPa | 348.00 | Solid-L... |
| Pvap | 0.05 | kPa | 352.90 | Solid-L... |
| Pvap | 0.05 | kPa | 353.00 | Solid-L... |
| ΔfusS | [47.00; 47.00] | J/mol×K | [342.31; 342.31] |
|
| ΔfusS | 47.00 | J/mol×K | 342.31 | NIST |
| ΔfusS | 47.00 | J/mol×K | 342.31 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.03; 4814.78] | kPa | [342.36; 806.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.13763e+02 | |||
| Coefficient B | -1.26926e+04 | |||
| Coefficient C | -1.38483e+01 | |||
| Coefficient D | 4.82981e-06 | |||
| Temperature range, min. | 342.36 | |||
| Temperature range, max. | 806.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 400 600 800 | ||||
| Pvap | 0.03 | kPa | 342.36 | Calculated Property |
| Pvap | 0.62 | kPa | 393.88 | Calculated Property |
| Pvap | 5.83 | kPa | 445.39 | Calculated Property |
| Pvap | 31.09 | kPa | 496.91 | Calculated Property |
| Pvap | 113.34 | kPa | 548.42 | Calculated Property |
| Pvap | 317.39 | kPa | 599.94 | Calculated Property |
| Pvap | 737.81 | kPa | 651.45 | Calculated Property |
| Pvap | 1501.98 | kPa | 702.97 | Calculated Property |
| Pvap | 2781.13 | kPa | 754.48 | Calculated Property |
| Pvap | 4814.78 | kPa | 806.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Caprolactam.
Mixtures
- Caprolactam + Tetra-N-butylammonium bromide + Water
- Caprolactam + Ethanol + Tetra-N-butylammonium bromide
- Isopropyl Alcohol + Caprolactam + Tetra-N-butylammonium bromide
- Caprolactam + Tetra-N-butylammonium bromide + 1-Butanol
- Caprolactam + Heptane
- Caprolactam + Octane
- Caprolactam + Nonane
- Caprolactam + Decane
- Caprolactam + Pentane, 2,2,4-trimethyl-
- Caprolactam + Propane, 2-methoxy-2-methyl-
- Diisopropyl ether + Caprolactam
- 1-Propanol + Caprolactam
- Isopropyl Alcohol + Caprolactam
- Caprolactam + 1-Butanol
- Caprolactam + Propane, 2-methoxy-2-methyl- + Cyclohexanone, oxime
- Caprolactam + Tetra-N-butylammonium bromide + Sulfur dioxide
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Solubility of caprolactam in different organic solvents
- Determination and modeling for solid-liquid phase equilibrium of ternary caprolactam + cyclohexanone oxime + methyl tert-butyl ether system
- Critical temperatures and pressures of caprolactam, dimethyl sulfoxide, 1,4-dimethylpiperazine, and 2,6-dimethylpiperazine
- Thermodynamic properties of epsilon-caprolactam and epsilon-caprothiolactam
- Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
- Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
- Electrical Conductivity of Caprolactam Tetrabutylammonium Bromide Ionic Liquids in Aqueous and Alcohol Binary Systems
- Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
- Density, Viscosity, and Surface Tension of Liquid Phase Beckmann Rearrangement Mixtures
- Solid-Liquid Equilibrium and Activity Coefficients for Caprolactam + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide and Cyclohexanone Oxime + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
- Solubility of SO2 in Caprolactam Tetrabutyl Ammonium Bromide Ionic Liquids
- Thermodynamics of Mixtures Containing a Strongly Polar Compound. 9. Liquid-Liquid Equilibria for epsilon-Caprolactam + Selected Alkanes
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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