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
Cp,gas	[224.16; 281.88]	J/mol×K	[459.06; 654.29]
Cp,gas	224.16	J/mol×K	459.06	Joback Calculated Property
Cp,gas	234.96	J/mol×K	491.60	Joback Calculated Property
Cp,gas	245.26	J/mol×K	524.14	Joback Calculated Property
Cp,gas	255.09	J/mol×K	556.68	Joback Calculated Property
Cp,gas	264.46	J/mol×K	589.21	Joback Calculated Property
Cp,gas	273.39	J/mol×K	621.75	Joback Calculated Property
Cp,gas	281.88	J/mol×K	654.29	Joback Calculated Property
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

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.