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.

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Physical Properties

Property	Value	Unit	Source
ω	0.3996		Relay (1.0) Calculated Property
Δ_cH°_solid	[-3603.80; -3588.00]	kJ/mol
Δ_cH°_solid	-3603.80 ± 1.50	kJ/mol	NIST
Δ_cH°_solid	-3603.70 ± 0.84	kJ/mol	NIST
Δ_cH°_solid	-3588.00 ± 6.30	kJ/mol	NIST
Δ_fG°	-15.18	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-239.60	kJ/mol	NIST
Δ_fH°_solid	-329.40 ± 1.70	kJ/mol	NIST
Δ_fusH°	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
Δ_subH°	[87.30; 89.76]	kJ/mol
Δ_subH°	87.30 ± 0.20	kJ/mol	NIST
Δ_subH°	89.76 ± 0.81	kJ/mol	NIST
Δ_subH°	87.30 ± 0.20	kJ/mol	NIST
Δ_subH°	89.76 ± 0.81	kJ/mol	NIST
Δ_vapH°	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
logP_oct/wat	0.677		Crippen Calculated Property
McVol	96.090	ml/mol	McGowan Calculated Property
P_c	4621.41	kPa	Joback Calculated Property
I_np	[215.49; 1266.00]
I_np	1244.00		NIST
I_np	1252.90		NIST
I_np	1244.00		NIST
I_np	1255.00		NIST
I_np	1266.00		NIST
I_np	1255.00		NIST
I_np	1266.00		NIST
I_np	215.49		NIST
I_np	217.00		NIST
I_np	215.49		NIST
I_np	1252.90		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
T_boil	528.05	K	Relay (1.0) Calculated Property
T_c	801.00	K	Critical temperatures and pressures of caprolactam, dimethyl sulfoxide, 1,4-dimethylpiperazine, and 2,6-dimethylpiperazine
T_fus	[342.20; 342.35]	K
T_fus	342.21	K	Thermodynamics of Mixtures Containing a Strongly Polar Compound. 9. Liquid-Liquid Equilibria for epsilon-Caprolactam + Selected Alkanes
T_fus	342.30 ± 0.50	K	NIST
T_fus	342.25	K	NIST
T_fus	342.35 ± 0.03	K	NIST
T_fus	342.20 ± 0.50	K	NIST
T_triple	[342.30; 342.31]	K
T_triple	342.31 ± 0.01	K	NIST
T_triple	342.30 ± 0.01	K	NIST
T_triple	342.31 ± 0.01	K	NIST
T_triple	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
C_p,solid	[156.30; 158.10]	J/mol×K	[298.15; 300.00]
C_p,solid	156.78	J/mol×K	298.15	NIST
C_p,solid	156.77	J/mol×K	298.15	NIST
C_p,solid	156.30	J/mol×K	300.00	NIST
C_p,solid	158.10	J/mol×K	300.00	NIST
Δ_fusH	[16.10; 16.20]	kJ/mol	[342.20; 343.30]

Δ_fusH	16.16	kJ/mol	342.20	NIST
Δ_fusH	16.20	kJ/mol	342.30	NIST
Δ_fusH	16.10	kJ/mol	342.31	NIST
Δ_fusH	16.10	kJ/mol	342.31	NIST
Δ_fusH	16.10	kJ/mol	342.31	NIST
Δ_fusH	16.10	kJ/mol	342.31	NIST
Δ_fusH	16.10	kJ/mol	342.31	NIST
Δ_fusH	16.13	kJ/mol	342.36	NIST
Δ_fusH	16.10	kJ/mol	343.30	NIST
Δ_fusH	16.10	kJ/mol	343.30	NIST
Δ_fusH	16.10	kJ/mol	343.30	NIST
Δ_subH	[77.50; 89.30]	kJ/mol	[283.00; 338.00]

Δ_subH	77.50	kJ/mol	283.00	NIST
Δ_subH	83.30 ± 0.80	kJ/mol	304.00	NIST
Δ_subH	83.30 ± 0.80	kJ/mol	304.00	NIST
Δ_subH	86.30	kJ/mol	315.50	NIST
Δ_subH	86.90	kJ/mol	320.50	NIST
Δ_subH	89.30 ± 0.80	kJ/mol	335.00	NIST
Δ_subH	89.30 ± 0.80	kJ/mol	335.00	NIST
Δ_subH	86.30 ± 0.20	kJ/mol	338.00	NIST
Δ_subH	86.30 ± 0.20	kJ/mol	338.00	NIST
Δ_vapH	[52.40; 87.60]	kJ/mol	[298.15; 459.00]

Δ_vapH	87.26	kJ/mol	298.15	NIST
Δ_vapH	87.26	kJ/mol	298.15	NIST
Δ_vapH	87.60	kJ/mol	350.03	Thermodynamic properties of epsilon-caprolactam and epsilon-caprothiolactam
Δ_vapH	62.30	kJ/mol	458.00	NIST
Δ_vapH	69.20 ± 0.30	kJ/mol	459.00	NIST
Δ_vapH	65.70 ± 0.30	kJ/mol	459.00	NIST
Δ_vapH	62.30 ± 0.20	kJ/mol	459.00	NIST
Δ_vapH	59.00 ± 0.20	kJ/mol	459.00	NIST
Δ_vapH	55.70 ± 0.30	kJ/mol	459.00	NIST
Δ_vapH	52.40 ± 0.50	kJ/mol	459.00	NIST
P_sub	[1.53e-04; 0.02]	kPa	[293.43; 337.82]

P_sub	1.53e-04	kPa	293.43	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	2.75e-04	kPa	298.39	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	4.74e-04	kPa	303.32	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	8.13e-04	kPa	308.31	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	8.58e-04	kPa	308.38	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	1.43e-03	kPa	313.22	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	2.35e-03	kPa	318.09	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	3.93e-03	kPa	322.98	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	3.79e-03	kPa	323.06	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	6.36e-03	kPa	327.93	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	6.10e-03	kPa	328.00	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	0.01	kPa	332.89	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	0.01	kPa	332.93	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_sub	0.02	kPa	337.82	Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
P_vap	[0.03; 0.05]	kPa	[343.00; 353.00]

P_vap	0.03	kPa	343.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
P_vap	0.04	kPa	347.90	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
P_vap	0.04	kPa	348.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
P_vap	0.05	kPa	352.90	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
P_vap	0.05	kPa	353.00	Solid-Liquid Equilibrium and Activity Coefficients for Binary Mixtures of Caprolactam and Cyclohexanone Oxime with Room-Temperature Ionic Liquids
Δ_fusS	[47.00; 47.00]	J/mol×K	[342.31; 342.31]
Δ_fusS	47.00	J/mol×K	342.31	NIST
Δ_fusS	47.00	J/mol×K	342.31	NIST
Δ_fusS	47.00	J/mol×K	342.31	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	410.20	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[110.97; 339.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-2.58800e+01
Coefficient B			5.31100e-01
Coefficient C			-8.80000e-05
Coefficient D			-7.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	110.97	J/mol×K	273.00	Calculated Property
C_p,gas	147.55	J/mol×K	353.78	Calculated Property
C_p,gas	181.91	J/mol×K	434.56	Calculated Property
C_p,gas	213.80	J/mol×K	515.33	Calculated Property
C_p,gas	242.96	J/mol×K	596.11	Calculated Property
C_p,gas	269.17	J/mol×K	676.89	Calculated Property
C_p,gas	292.16	J/mol×K	757.67	Calculated Property
C_p,gas	311.70	J/mol×K	838.44	Calculated Property
C_p,gas	327.53	J/mol×K	919.22	Calculated Property
C_p,gas	339.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[0.03; 4814.78]	kPa	[342.36; 806.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is P_vap in kPa, T in K
Coefficient A			1.13763e+02
Coefficient B			-1.26926e+04
Coefficient C			-1.38483e+01
Coefficient D			4.82981e-06
Coefficient E			0.00000e+00
Temperature range, min.			342.36
Temperature range, max.			806.00

P_vap	0.03	kPa	342.36	Calculated Property
P_vap	0.62	kPa	393.88	Calculated Property
P_vap	5.83	kPa	445.39	Calculated Property
P_vap	31.09	kPa	496.91	Calculated Property
P_vap	113.34	kPa	548.42	Calculated Property
P_vap	317.39	kPa	599.94	Calculated Property
P_vap	737.81	kPa	651.45	Calculated Property
P_vap	1501.98	kPa	702.97	Calculated Property
P_vap	2781.13	kPa	754.48	Calculated Property
P_vap	4814.78	kPa	806.00	Calculated Property

Similar Compounds

Find more compounds similar to Caprolactam.

Mixtures

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