Chemical Properties of 1-Heptanamine (CAS 111-68-2)

InChI

InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3

InChI Key

WJYIASZWHGOTOU-UHFFFAOYSA-N

Formula

C7H17N

SMILES

CCCCCCCN

Molecular Weight¹

115.22

CAS

111-68-2

Other Names

• 1-AMINOHEPTANE
• 1-Heptylamine
• CH3(CH2)6NH2
• HEPTYLAMINE
• N-HEPTYLAMINE

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• V_m : Molar Volume (m³/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.5064		Relay (1.0) Calculated Property
PAff	923.20	kJ/mol	NIST
BasG	[879.50; 889.30]	kJ/mol
BasG	889.30	kJ/mol	NIST
BasG	879.50 ± 9.20	kJ/mol	NIST
ΔcH°liquid	-4949.70	kJ/mol	NIST
ΔfG°	74.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.00	kJ/mol	NIST
ΔfH°liquid	-266.00	kJ/mol	NIST
ΔfusH°	19.08	kJ/mol	Joback Calculated Property
ΔvapH°	[49.90; 50.00]	kJ/mol
ΔvapH°	49.98	kJ/mol	NIST
ΔvapH°	49.90	kJ/mol	NIST
ΔvapH°	50.00 ± 0.10	kJ/mol	NIST
ΔvapH°	49.96 ± 0.08	kJ/mol	NIST
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-1.85		Aq. Solubility Prediction
logPoct/wat	1.915		Crippen Calculated Property
McVol	119.470	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[912.00; 943.20]
Inp	928.00		NIST
Inp	943.20		NIST
Inp	Outlier 918.00		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	933.00		NIST
Inp	933.00		NIST
Inp	934.00		NIST
Inp	934.00		NIST
Inp	935.00		NIST
Inp	930.00		NIST
Inp	931.00		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	933.00		NIST
Inp	933.00		NIST
Inp	931.00		NIST
Inp	932.00		NIST
Inp	933.00		NIST
Inp	933.00		NIST
Inp	934.00		NIST
Inp	935.00		NIST
Inp	939.00		NIST
Inp	931.00		NIST
Inp	931.00		NIST
Inp	930.00		NIST
Inp	942.00		NIST
Inp	Outlier 912.00		NIST
Inp	930.00		NIST
Inp	937.00		NIST
Inp	941.00		NIST
Inp	933.00		NIST
Inp	934.00		NIST
Inp	935.00		NIST
Inp	932.00		NIST
Inp	942.00		NIST
I	[1213.00; 1223.00]
I	1220.00		NIST
I	1219.00		NIST
I	1223.00		NIST
I	1215.00		NIST
I	1217.00		NIST
I	1215.00		NIST
I	1218.00		NIST
I	1213.00		NIST
Tboil	433.11	K	Relay (1.0) Calculated Property
Tc	611.61	K	Relay (1.0) Calculated Property
Tfus	[250.15; 253.48]	K
Tfus	253.48	K	Aq. Solubility Prediction
Tfus	250.15 ± 0.60	K	NIST
Vc	0.454	m3/kmol	Relay (1.0) Calculated Property
Vm	1.50e-04	m3/mol	Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.70; 318.89]	J/mol×K	[432.09; 610.78]
Cp,gas	250.70	J/mol×K	432.09	Joback Calculated Property
Cp,gas	263.29	J/mol×K	461.87	Joback Calculated Property
Cp,gas	275.37	J/mol×K	491.65	Joback Calculated Property
Cp,gas	286.95	J/mol×K	521.43	Joback Calculated Property
Cp,gas	298.06	J/mol×K	551.21	Joback Calculated Property
Cp,gas	308.70	J/mol×K	581.00	Joback Calculated Property
Cp,gas	318.89	J/mol×K	610.78	Joback Calculated Property
ΔvapH	46.50	kJ/mol	378.00	NIST
Pvap	[0.08; 0.50]	kPa	[280.20; 306.20]
Pvap	0.08	kPa	280.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.09	kPa	282.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.11	kPa	284.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.12	kPa	286.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.14	kPa	288.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.16	kPa	290.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.19	kPa	292.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.22	kPa	294.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.25	kPa	296.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.29	kPa	298.30	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.33	kPa	300.30	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.38	kPa	302.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.41	kPa	303.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.50	kPa	306.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Viscosity, Pa*s - Liquid
100.00	293.15	0.0011
100.00	313.15	0.0008
100.00	333.15	0.0006
100.00	353.15	0.0005
20000.00	293.15	0.0013
20000.00	313.15	0.0009
20000.00	333.15	0.0007
20000.00	353.15	0.0006
40000.00	293.15	0.0015
40000.00	313.15	0.0011
40000.00	333.15	0.0008
40000.00	353.15	0.0007
60000.00	293.15	0.0018
60000.00	313.15	0.0013
60000.00	333.15	0.0010
60000.00	353.15	0.0008
80000.00	293.15	0.0021
80000.00	313.15	0.0015
80000.00	333.15	0.0011
80000.00	353.15	0.0009
100000.00	293.15	0.0024
100000.00	313.15	0.0017
100000.00	333.15	0.0012
100000.00	353.15	0.0010
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	774.9
293.15	10000.00	781.1
293.15	20000.00	787.1
293.15	30000.00	792.6
293.15	40000.00	797.8
293.15	50000.00	802.7
293.15	60000.00	807.4
293.15	70000.00	811.8
293.15	80000.00	816.1
293.15	90000.00	820.2
293.15	100000.00	824.0
293.15	110000.00	827.8
293.15	120000.00	831.5
293.15	130000.00	835.0
293.15	140000.00	838.3
303.15	100.00	766.5
303.15	10000.00	773.6
303.15	20000.00	780.0
303.15	30000.00	785.8
303.15	40000.00	791.3
303.15	50000.00	796.5
303.15	60000.00	801.3
303.15	70000.00	806.0
303.15	80000.00	810.4
303.15	90000.00	814.6
303.15	100000.00	818.7
303.15	110000.00	822.5
303.15	120000.00	826.2
303.15	130000.00	829.9
303.15	140000.00	833.3
313.15	100.00	758.2
313.15	10000.00	765.4
313.15	20000.00	772.0
313.15	30000.00	778.2
313.15	40000.00	784.0
313.15	50000.00	789.3
313.15	60000.00	794.5
313.15	70000.00	799.2
313.15	80000.00	803.7
313.15	90000.00	808.0
313.15	100000.00	812.2
313.15	110000.00	816.2
313.15	120000.00	820.1
313.15	130000.00	823.8
313.15	140000.00	827.4
323.15	100.00	749.8
323.15	10000.00	757.6
323.15	20000.00	764.5
323.15	30000.00	771.0
323.15	40000.00	777.0
323.15	50000.00	782.6
323.15	60000.00	787.8
323.15	70000.00	792.7
323.15	80000.00	797.5
323.15	90000.00	802.0
323.15	100000.00	806.3
323.15	110000.00	810.6
323.15	120000.00	814.5
323.15	130000.00	818.4
323.15	140000.00	822.1
333.15	100.00	741.4
333.15	10000.00	749.5
333.15	20000.00	756.8
333.15	30000.00	763.4
333.15	40000.00	769.6
333.15	50000.00	775.5
333.15	60000.00	780.9
333.15	70000.00	786.2
333.15	80000.00	791.1
333.15	90000.00	795.6
333.15	100000.00	800.0
333.15	110000.00	804.3
333.15	120000.00	808.4
333.15	130000.00	812.4
333.15	140000.00	816.2
343.15	100.00	732.6
343.15	10000.00	741.7
343.15	20000.00	749.6
343.15	30000.00	756.7
343.15	40000.00	763.3
343.15	50000.00	769.4
343.15	60000.00	775.1
343.15	70000.00	780.4
343.15	80000.00	785.5
343.15	90000.00	790.3
343.15	100000.00	794.9
343.15	110000.00	799.2
343.15	120000.00	803.3
343.15	130000.00	807.4
343.15	140000.00	811.3
353.15	100.00	724.4
353.15	10000.00	733.7
353.15	20000.00	741.9
353.15	30000.00	749.3
353.15	40000.00	756.2
353.15	50000.00	762.6
353.15	60000.00	768.7
353.15	70000.00	774.2
353.15	80000.00	779.5
353.15	90000.00	784.3
353.15	100000.00	789.2
353.15	110000.00	793.7
353.15	120000.00	797.9
353.15	130000.00	802.1
353.15	140000.00	806.1
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[326.04; 453.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57790e+01
Coefficient B			-4.11042e+03
Coefficient C			-6.07040e+01
Temperature range, min.			326.04
Temperature range, max.			453.39
Pvap	1.33	kPa	326.04	Calculated Property
Pvap	2.92	kPa	340.19	Calculated Property
Pvap	5.93	kPa	354.34	Calculated Property
Pvap	11.29	kPa	368.49	Calculated Property
Pvap	20.31	kPa	382.64	Calculated Property
Pvap	34.77	kPa	396.79	Calculated Property
Pvap	56.99	kPa	410.94	Calculated Property
Pvap	89.89	kPa	425.09	Calculated Property
Pvap	137.04	kPa	439.24	Calculated Property
Pvap	202.66	kPa	453.39	Calculated Property
Pvap	[9.62e-03; 2866.79]	kPa	[254.15; 607.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.39695e+02
Coefficient B			-1.08451e+04
Coefficient C			-1.85086e+01
Coefficient D			1.28802e-05
Temperature range, min.			254.15
Temperature range, max.			607.00
Pvap	9.62e-03	kPa	254.15	Calculated Property
Pvap	0.27	kPa	293.36	Calculated Property
Pvap	2.81	kPa	332.56	Calculated Property
Pvap	15.87	kPa	371.77	Calculated Property
Pvap	59.56	kPa	410.97	Calculated Property
Pvap	169.62	kPa	450.18	Calculated Property
Pvap	400.39	kPa	489.38	Calculated Property
Pvap	831.96	kPa	528.59	Calculated Property
Pvap	1587.38	kPa	567.79	Calculated Property
Pvap	2866.79	kPa	607.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanamine.

Mixtures

• 1-Heptanamine + Heptane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Thermodynamic study of heptane + amine mixtures. V. Excess and solvation Gibbs energies
• High-pressure (up to 140 MPa) density and derivative properties of some (pentyl-, hexyl-, and heptyl-) amines between (293.15 and 353.15) K
• Influence of the chain length on the dynamic viscosity at high pressure of some amines: Measurements and comparative study of some models
• Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
• Thermodynamic Parameters of Anionic Surfactant-Additive Systems at the Cloud Point
• The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.