Chemical Properties of 1,8-Diaminooctane (CAS 373-44-4)

InChI

InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

InChI Key

PWGJDPKCLMLPJW-UHFFFAOYSA-N

Formula

C8H20N2

SMILES

NCCCCCCCCN

Molecular Weight¹

144.26

CAS

373-44-4

Other Names

• 1,8-Octamethylenediamine
• 1,8-Octylenediamine
• 1,8-octanediamine
• octamethylenediamine

• ω : Acentric Factor.
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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.
• I_p : Polar retention indices.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6628		Relay (1.0) Calculated Property
BasG	946.00 ± 21.00	kJ/mol	NIST
ΔfG°	149.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[50.51; 68.56]	kJ/mol
ΔfusH°	68.56	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	68.19	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	68.04	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	67.82	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	67.46	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	67.09	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	67.00	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.72	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.48	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.36	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.30	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.10	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.99	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.95	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.94	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.63	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.42	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.42	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.26	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.89	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.90	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	Outlier 50.51	kJ/mol	Solid-Liquid Equilibria of Naphthalene + Alkanediamine Mixtures
ΔvapH°	70.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	1.244		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	[2800.00; 2800.00]	kPa
Pc	2800.00	kPa	Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
Pc	2800.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Inp	1273.00		NIST
Ip	1850.00		NIST
Tboil	498.70	K	NIST
Tc	712.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tfus	325.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.541	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[50.51; 50.98]	kJ/mol	[324.80; 324.90]
ΔfusH	50.98	kJ/mol	324.80	NIST
ΔfusH	50.51	kJ/mol	324.90	NIST
Psub	[1.50e-04; 6.27e-03]	kPa	[288.49; 313.51]
Psub	1.50e-04	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.50e-04	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.50e-04	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.20e-04	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.20e-04	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.20e-04	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.20e-04	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.20e-04	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.20e-04	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.60e-04	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.60e-04	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.60e-04	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.80e-04	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.80e-04	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.80e-04	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.60e-04	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.60e-04	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.60e-04	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.40e-03	kPa	303.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.41e-03	kPa	303.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.40e-03	kPa	303.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.03e-03	kPa	306.00	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.03e-03	kPa	306.00	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.04e-03	kPa	306.00	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.98e-03	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.98e-03	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.98e-03	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.34e-03	kPa	311.01	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.32e-03	kPa	311.01	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.29e-03	kPa	311.01	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.27e-03	kPa	313.51	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.20e-03	kPa	313.51	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	6.25e-03	kPa	313.51	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.94; 504.00]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.59800e+00
Coefficient B			8.87600e-01
Coefficient C			-4.98200e-04
Coefficient D			1.06000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.94	J/mol×K	273.00	Calculated Property
Cp,gas	264.95	J/mol×K	353.78	Calculated Property
Cp,gas	308.93	J/mol×K	434.56	Calculated Property
Cp,gas	348.21	J/mol×K	515.33	Calculated Property
Cp,gas	383.13	J/mol×K	596.11	Calculated Property
Cp,gas	414.01	J/mol×K	676.89	Calculated Property
Cp,gas	441.21	J/mol×K	757.67	Calculated Property
Cp,gas	465.05	J/mol×K	838.44	Calculated Property
Cp,gas	485.87	J/mol×K	919.22	Calculated Property
Cp,gas	504.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[380.52; 526.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56443e+01
Coefficient B			-4.62059e+03
Coefficient C			-7.96360e+01
Temperature range, min.			380.52
Temperature range, max.			526.81
Pvap	1.33	kPa	380.52	Calculated Property
Pvap	2.93	kPa	396.77	Calculated Property
Pvap	5.96	kPa	413.03	Calculated Property
Pvap	11.35	kPa	429.28	Calculated Property
Pvap	20.42	kPa	445.54	Calculated Property
Pvap	34.93	kPa	461.79	Calculated Property
Pvap	57.21	kPa	478.05	Calculated Property
Pvap	90.14	kPa	494.30	Calculated Property
Pvap	137.23	kPa	510.56	Calculated Property
Pvap	202.64	kPa	526.81	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Diaminooctane.

Mixtures

• 1,8-Diaminooctane + Pentane
• n-Hexane + 1,8-Diaminooctane
• Heptane + 1,8-Diaminooctane
• Octane + 1,8-Diaminooctane
• Decane + 1,8-Diaminooctane
• 1-Pentene + 1,8-Diaminooctane
• 1-Hexene + 1,8-Diaminooctane
• 1-Heptene + 1,8-Diaminooctane
• 1-Octene + 1,8-Diaminooctane
• 1-Decene + 1,8-Diaminooctane
• 1,8-Diaminooctane + Methyl Alcohol
• Ethanol + 1,8-Diaminooctane
• 1-Propanol + 1,8-Diaminooctane
• 1-Butanol + 1,8-Diaminooctane
• Butane, 1-chloro- + 1,8-Diaminooctane
• 1,8-Diaminooctane + Pentane, 1-chloro-
• Hexane, 1-chloro- + 1,8-Diaminooctane
• Methylene chloride + 1,8-Diaminooctane
• 1,8-Diaminooctane + Carbon Tetrachloride
• 1,8-Diaminooctane + Ethyl Acetate

Find more mixtures with 1,8-Diaminooctane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
• Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
• Solid-Liquid Equilibria of Naphthalene + Alkanediamine Mixtures
• Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
• Activity Coefficients at Infinite Dilution by GLC in Alkanediamines as Stationary Phases
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.