Chemical Properties of Caprolactam (CAS 105-60-2)

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-Azepanone
• 2-Ketohexamethyleneimine
• 2-Oxohexamethyleneimine
• 2-azacycloheptanone
• 2-ketohexamethylenimine
• 2-oxohexamethylenimine
• 2-perhydroazepinone
• 2H-Azepin-7-one, hexahydro-
• 2H-azepin-2-one, hexahydro-
• 6-Aminocaproic acid lactam
• 6-Aminohexanoic acid cyclic lactam
• 6-Aminohexanoic acid lactam
• 6-aminohexanoic acid, .epsilon.-lactam
• 6-caprolactam
• 6-hexanelactam
• A1030
• ATM 2(NYLON)
• Akulon
• Alkamid
• Amilan cm 1001
• Amilan cm 1001C
• Amilan cm 1001G
• Amilan cm 1011
• 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
• Hexamethylenimine, 2-oxo-
• Hexano-6-lactam
• Hexanoic acid, 6-amino-, lactam
• 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
• aminocaproic lactam
• caproic acid, 6-amino, .epsilon.-lactam
• hexahydro-2-azepinone
• hexahydro-2H-azepin-2-one
• hexanoic acid, 6-amino, .epsilon.-lactam
• hexanoic acid, 6-amino-, cyclic lactam
• hexanolactam
• «epsilon»-Caprolactam
• «omega»-Caprolactam

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3996		Relay (1.0) Calculated Property
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-Liquid Equilibrium and Activity Coefficients for Caprolactam + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide and Cyclohexanone Oxime + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
ΔsubH°	[87.30; 89.76]	kJ/mol
ΔsubH°	87.30 ± 0.20	kJ/mol	NIST
ΔsubH°	89.76 ± 0.81	kJ/mol	NIST
ΔvapH°	64.97	kJ/mol	Relay (1.0) Calculated Property
IE	[9.07; 9.19]	eV
IE	9.07 ± 0.02	eV	NIST
IE	9.19	eV	NIST
log10WS	0.25		Relay (1.0) 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	1244.00		NIST
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
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	528.05	K	Relay (1.0) Calculated Property
Tc	801.00	K	Critical temperatures and pressures of caprolactam, dimethyl sulfoxide, 1,4-dimethylpiperazine, and 2,6-dimethylpiperazine
Tfus	[342.20; 342.35]	K
Tfus	342.21	K	Thermodynamics of Mixtures Containing a Strongly Polar Compound. 9. Liquid-Liquid Equilibria for epsilon-Caprolactam + Selected Alkanes
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

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.85; 283.46]	J/mol×K	[481.74; 725.68]
Cp,gas	200.85	J/mol×K	481.74	Joback Calculated Property
Cp,gas	216.46	J/mol×K	522.40	Joback Calculated Property
Cp,gas	231.37	J/mol×K	563.05	Joback Calculated Property
Cp,gas	245.56	J/mol×K	603.71	Joback Calculated Property
Cp,gas	258.99	J/mol×K	644.37	Joback Calculated Property
Cp,gas	271.63	J/mol×K	685.02	Joback Calculated Property
Cp,gas	283.46	J/mol×K	725.68	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]
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]
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]
ΔvapH	87.26	kJ/mol	298.15	NIST
ΔvapH	87.60	kJ/mol	350.03	Thermodynamic properties of epsilon-caprolactam and epsilon-caprothiolactam
ΔvapH	62.30	kJ/mol	458.00	NIST
ΔvapH	69.20 ± 0.30	kJ/mol	459.00	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
Psub	[1.53e-04; 0.02]	kPa	[293.43; 337.82]
Psub	1.53e-04	kPa	293.43	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	2.75e-04	kPa	298.39	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	4.74e-04	kPa	303.32	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	8.13e-04	kPa	308.31	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	8.58e-04	kPa	308.38	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	1.43e-03	kPa	313.22	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	2.35e-03	kPa	318.09	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	3.93e-03	kPa	322.98	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	3.79e-03	kPa	323.06	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	6.36e-03	kPa	327.93	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	6.10e-03	kPa	328.00	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	0.01	kPa	332.89	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	0.01	kPa	332.93	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Psub	0.02	kPa	337.82	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Pvap	[0.03; 0.05]	kPa	[343.00; 353.00]
Pvap	0.03	kPa	343.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
Pvap	0.04	kPa	347.90	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
Pvap	0.04	kPa	348.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
Pvap	0.05	kPa	352.90	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
Pvap	0.05	kPa	353.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.03; 4814.78]	kPa	[342.36; 806.00]	KDB Vapor Pressure Data
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
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 + Propane, 2-methoxy-2-methyl- + Cyclohexanone, oxime
• Caprolactam + Propane, 2-methoxy-2-methyl-
• Diisopropyl ether + Caprolactam
• 1-Propanol + Caprolactam
• 2-Propanol + Caprolactam
• Caprolactam + 1-Butanol
• Caprolactam + Tetra-N-butylammonium bromide + Water
• Caprolactam + Ethanol + Tetra-N-butylammonium bromide
• 2-Propanol + 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-
• Sulfuric Acid + Caprolactam + SULFUR TRIOXIDE
• Caprolactam + Tetra-N-butylammonium bromide + Sulfur dioxide

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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
• 1-Butyl-3-methylimidazolium Tosylate Ionic Liquid: Heat Capacity, Thermal Stability, and Phase Equilibrium of Its Binary Mixtures with Water and Caprolactam
• 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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