Chemical Properties of 1,3-BUTANEDIAMINE (CAS 590-88-5)

InChI

InChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3

InChI Key

RGTXVXDNHPWPHH-UHFFFAOYSA-N

Formula

C4H12N2

SMILES

CC(N)CCN

Molecular Weight¹

88.15

CAS

590-88-5

Other Names

• 1,3-Diaminobutane
• 1-methyltrimethylenediamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.77; 298.17]	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			1.05520e+01
Coefficient B			5.13520e-01
Coefficient C			-2.83800e-04
Coefficient D			5.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.77	J/mol×K	273.00	Calculated Property
Cp,gas	159.27	J/mol×K	353.78	Calculated Property
Cp,gas	184.86	J/mol×K	434.56	Calculated Property
Cp,gas	207.74	J/mol×K	515.33	Calculated Property
Cp,gas	228.08	J/mol×K	596.11	Calculated Property
Cp,gas	246.07	J/mol×K	676.89	Calculated Property
Cp,gas	261.89	J/mol×K	757.67	Calculated Property
Cp,gas	275.73	J/mol×K	838.44	Calculated Property
Cp,gas	287.76	J/mol×K	919.22	Calculated Property
Cp,gas	298.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.69]	kPa	[317.32; 400.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.09137e+01
Coefficient B			-5.35549e+03
Coefficient C			-5.76740e+01
Temperature range, min.			317.32
Temperature range, max.			400.93
Pvap	1.33	kPa	317.32	Calculated Property
Pvap	2.72	kPa	326.61	Calculated Property
Pvap	5.29	kPa	335.90	Calculated Property
Pvap	9.84	kPa	345.19	Calculated Property
Pvap	17.64	kPa	354.48	Calculated Property
Pvap	30.50	kPa	363.77	Calculated Property
Pvap	51.06	kPa	373.06	Calculated Property
Pvap	83.00	kPa	382.35	Calculated Property
Pvap	131.32	kPa	391.64	Calculated Property
Pvap	202.69	kPa	400.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-BUTANEDIAMINE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.