Chemical Properties of 1,5-Pentanediamine (CAS 462-94-2)

InChI

InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

InChI Key

VHRGRCVQAFMJIZ-UHFFFAOYSA-N

Formula

C5H14N2

SMILES

NCCCCCN

Molecular Weight¹

102.18

CAS

462-94-2

Other Names

• 1,5-Pentamethylenediamine
• 1,5-diaminopentane
• Animal coniine
• Cadaverin
• H2N(CH2)5NH2
• Pentane-1,5-diamine
• cadaverine
• pentamethylenediamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5575		Relay (1.0) Calculated Property
PAff	[980.30; 1008.00]	kJ/mol
PAff	999.60	kJ/mol	NIST
PAff	980.30	kJ/mol	NIST
PAff	1008.00	kJ/mol	NIST
BasG	946.20	kJ/mol	NIST
ΔfG°	124.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[54.66; 58.67]	kJ/mol
ΔfusH°	58.67	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.66	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.66	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.37	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.26	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.10	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.09	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.83	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.54	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.54	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.47	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.45	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.07	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.06	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.98	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.67	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.42	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.28	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.27	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.27	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.26	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	56.07	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.88	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.87	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.87	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.87	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.86	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.67	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.63	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.47	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.46	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.47	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.46	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.46	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.26	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.27	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.07	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	55.07	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	54.87	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	54.74	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	54.74	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	54.66	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔvapH°	56.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-0.64		Relay (1.0) Calculated Property
logPoct/wat	0.074		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	3985.56	kPa	Joback Calculated Property
Inp	[1035.00; 1035.00]
Inp	1035.00		NIST
Inp	1035.00		NIST
Inp	1035.00		NIST
I	[1537.00; 1537.00]
I	1537.00		NIST
I	1537.00		NIST
Tboil	[451.65; 452.65]	K
Tboil	452.20	K	NIST
Tboil	451.65 ± 1.50	K	NIST
Tboil	452.65 ± 2.00	K	NIST
Tc	659.98	K	Relay (1.0) Calculated Property
Tfus	304.24	K	Relay (1.0) Calculated Property
Vc	0.365	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	29.82	kJ/mol	285.00	NIST
Psub	[3.88e-03; 0.02]	kPa	[273.68; 286.49]
Psub	3.90e-03	kPa	273.68	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.89e-03	kPa	273.68	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.88e-03	kPa	273.68	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.53e-03	kPa	275.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.52e-03	kPa	275.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.48e-03	kPa	275.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.90e-03	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.93e-03	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.84e-03	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	280.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	280.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	280.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	282.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	282.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	282.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	284.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	284.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	284.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	285.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	285.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	285.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	286.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	286.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	286.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.30; 349.23]	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			1.13250e+01
Coefficient B			6.02600e-01
Coefficient C			-3.35000e-04
Coefficient D			7.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.30	J/mol×K	273.00	Calculated Property
Cp,gas	185.70	J/mol×K	353.78	Calculated Property
Cp,gas	215.70	J/mol×K	434.56	Calculated Property
Cp,gas	242.52	J/mol×K	515.33	Calculated Property
Cp,gas	266.39	J/mol×K	596.11	Calculated Property
Cp,gas	287.53	J/mol×K	676.89	Calculated Property
Cp,gas	306.16	J/mol×K	757.67	Calculated Property
Cp,gas	322.51	J/mol×K	838.44	Calculated Property
Cp,gas	336.79	J/mol×K	919.22	Calculated Property
Cp,gas	349.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Pentanediamine.

Sources

• 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
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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