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

• 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).
• 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
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
log10WS	-1.85		Aq. Sol...
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	432.09	K	Joback Calculated Property
Tc	610.78	K	Joback Calculated Property
Tfus	[250.15; 253.48]	K
Tfus	253.48	K	Aq. Sol...
Tfus	250.15 ± 0.60	K	NIST
Vc	0.457	m3/kmol	Joback Calculated Property
Vm	1.50e-04	m3/mol	Thermod...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.70; 318.89]	J/mol×K	[432.09; 610.78]
T(K) Ideal gas heat capacity (J/mol×K) 250 260 270 280 290 300 310 320 450 500 550 600
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]
T(K) Vapor pressure (kPa) 0.1 0.2 0.3 0.4 0.5 280 290 300
Pvap	0.08	kPa	280.20	The Vap...
Pvap	0.09	kPa	282.20	The Vap...
Pvap	0.11	kPa	284.20	The Vap...
Pvap	0.12	kPa	286.20	The Vap...
Pvap	0.14	kPa	288.20	The Vap...
Pvap	0.16	kPa	290.20	The Vap...
Pvap	0.19	kPa	292.20	The Vap...
Pvap	0.22	kPa	294.20	The Vap...
Pvap	0.25	kPa	296.20	The Vap...
Pvap	0.29	kPa	298.30	The Vap...
Pvap	0.33	kPa	300.30	The Vap...
Pvap	0.38	kPa	302.20	The Vap...
Pvap	0.41	kPa	303.20	The Vap...
Pvap	0.50	kPa	306.20	The Vap...

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 Yaw...
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450
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 Vap...
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
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 300 400 500 600
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
• 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.