Chemical Properties of Methenamine (CAS 100-97-0)

InChI

InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2

InChI Key

VKYKSIONXSXAKP-UHFFFAOYSA-N

Formula

C6H12N4

SMILES

C1N2CN3CN1CN(C2)C3

Molecular Weight¹

140.19

CAS

100-97-0

Other Names

• 1,3,5,7-Tetraazatricyclo-[3.3.1.1(3,7)]decane
• 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
• 1,3,5,7-tetraazaadamantane
• 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane
• Aceto HMT
• Aminoform
• Aminoformaldehyde
• Ammoform
• Ammonioformaldehyde
• Antihydral
• Cystamin
• Cystogen
• Duirexol
• Ekagom H
• Formamine
• Formin
• Formin (heterocycle)
• H.M.T.
• HMT
• Herax UTS
• Heterin
• Hexa
• Hexa-Flo-Pulver
• Hexaform
• Hexaloids
• Hexamethylenamine
• Hexamethylenetetraamine
• Hexamethylentetramin
• Hexamine
• Hexamine (heterocycle)
• Hexasan
• Hexilmethylenamine
• Methenamin
• Metramine
• Nocceler H
• Preparation AF
• Resotropin
• Sanceler H
• Uramin
• Uratrine
• Uritone
• Urodeine
• Urotropin
• Vesaloin
• Vulkacit H 30
• Xametrin
• hexamethylenetetramine
• urotropine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-4200.11; -4199.10]	kJ/mol
ΔcH°solid	-4200.11 ± 0.67	kJ/mol	NIST
ΔcH°solid	-4199.10	kJ/mol	NIST
ΔfH°gas	[197.90; 199.00]	kJ/mol
ΔfH°gas	199.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	197.90	kJ/mol	NIST
ΔfH°solid	[123.00; 124.10]	kJ/mol
ΔfH°solid	124.10 ± 0.75	kJ/mol	NIST
ΔfH°solid	123.00	kJ/mol	NIST
ΔsubH°	[74.90; 79.60]	kJ/mol
ΔsubH°	79.60 ± 0.40	kJ/mol	NIST
ΔsubH°	75.00 ± 3.00	kJ/mol	NIST
ΔsubH°	74.90	kJ/mol	NIST
ΔsubH°	74.90 ± 2.90	kJ/mol	NIST
IE	[8.26; 8.55]	eV
IE	8.26	eV	NIST
IE	8.55	eV	NIST
IE	8.53	eV	NIST
logPoct/wat	-1.020		Crippen Calculated Property
McVol	102.740	ml/mol	McGowan Calculated Property
Inp	[206.78; 1220.00]
Inp	1204.00		NIST
Inp	1205.00		NIST
Inp	1220.00		NIST
Inp	1210.00		NIST
Inp	206.78		NIST
Inp	206.78		NIST
I	[2014.00; 2014.00]
I	2014.00		NIST
I	2014.00		NIST
I	2014.00		NIST
S°solid,1 bar	[163.38; 163.38]	J/mol×K
S°solid,1 bar	163.38	J/mol×K	NIST
S°solid,1 bar	163.38	J/mol×K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[152.29; 152.29]	J/mol×K	[298.15; 298.15]
Cp,solid	152.29	J/mol×K	298.15	NIST
Cp,solid	152.29	J/mol×K	298.15	NIST
ΔsubH	[74.10; 78.80]	kJ/mol	[289.50; 375.50]
ΔsubH	74.10 ± 0.80	kJ/mol	289.50	NIST
ΔsubH	78.80	kJ/mol	315.00	NIST
ΔsubH	77.70 ± 0.40	kJ/mol	358.50	NIST
ΔsubH	76.80	kJ/mol	375.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[7.15e-05; 2.87]	kPa	[298.15; 453.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.14393e+01
Coefficient B			-9.23798e+03
Coefficient C			-2.54812e-05
Coefficient D			3.10254e-11
Temperature range, min.			298.15
Temperature range, max.			453.15
Pvap	7.15e-05	kPa	298.15	Calculated Property
Pvap	3.89e-04	kPa	315.37	Calculated Property
Pvap	1.77e-03	kPa	332.59	Calculated Property
Pvap	6.95e-03	kPa	349.82	Calculated Property
Pvap	0.02	kPa	367.04	Calculated Property
Pvap	0.07	kPa	384.26	Calculated Property
Pvap	0.21	kPa	401.48	Calculated Property
Pvap	0.54	kPa	418.71	Calculated Property
Pvap	1.28	kPa	435.93	Calculated Property
Pvap	2.87	kPa	453.15	Calculated Property

Similar Compounds

Find more compounds similar to Methenamine.

Mixtures

• Methenamine + Water
• Methenamine + Acetic acid
• Methenamine + Methyl Alcohol
• Methenamine + Ethanol + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermochemistry of hexamethylenetetramine pentaborate
• Solubility of 1,3,5,7-tetra azatricyclo[3.3.1.13,7]decane (HMT) in water from 275.15K to 313.15K
• Density, Speed of Sound, Viscosity, and Surface Tension of Hexamethylenetetramine Aqueous Solutions from T = (293.15 to 323.15) K
• Densities and Viscosities of Binary Mixtures of Acetic Acid with Acetic Anhydride and Methenamine at Different Temperatures
• Solubility of Hexamethylenetetramine in a Pure Water, Methanol, Acetic Acid, and Ethanol + Water Mixture from (299.38 to 340.35) K
• Heat Capacities of Binary Mixtures of Acetic Acid with Acetic Anhydride and Methenamine at Different Temperatures
• KDB
• McGowan Method
• NIST Webbook

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