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-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

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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]
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]
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	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]
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]
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

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
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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