Chemical Properties of N,N'-Trimethyleneurea (CAS 1852-17-1)

InChI

InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

InChI Key

NQPJDJVGBDHCAD-UHFFFAOYSA-N

Formula

C4H8N2O

SMILES

OC1=NCCCN1

Molecular Weight¹

100.12

CAS

1852-17-1

Other Names

• 2(1H)-Pyrimidinone, tetrahydro-
• 2(1H)-Tetrahydropyrimidinone
• 2-Ketohexahydropyrimidine
• 2-Pyrimidinol, 3,4,5,6-tetrahydro-
• Hexahydro-2(1H)-pyrimidinone
• Hexahydropyrimidin-2-one
• NSC 21315
• Propyleneurea
• Pyrimidine, hexahydro-2-oxo-
• Tetrahydro-2-pyrimidone
• Urea, 1,3-trimethylene-
• Urea, N,N'-(1,3-propanediyl)-
• perhydropyrimidin-2-one
• tetrahydropyrimidin-2(1H)-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.45; 234.50]	J/mol×K	[513.71; 734.47]
Cp,gas	178.45	J/mol×K	513.71	Joback Calculated Property
Cp,gas	189.15	J/mol×K	550.50	Joback Calculated Property
Cp,gas	199.31	J/mol×K	587.30	Joback Calculated Property
Cp,gas	208.94	J/mol×K	624.09	Joback Calculated Property
Cp,gas	218.02	J/mol×K	660.88	Joback Calculated Property
Cp,gas	226.54	J/mol×K	697.67	Joback Calculated Property
Cp,gas	234.50	J/mol×K	734.47	Joback Calculated Property
Cp,solid	[117.20; 224.90]	J/mol×K	[268.15; 470.15]
Cp,solid	117.20	J/mol×K	268.15	Structu...
Cp,solid	118.00	J/mol×K	270.15	Structu...
Cp,solid	120.10	J/mol×K	275.15	Structu...
Cp,solid	122.20	J/mol×K	280.15	Structu...
Cp,solid	124.10	J/mol×K	285.15	Structu...
Cp,solid	126.20	J/mol×K	290.15	Structu...
Cp,solid	128.10	J/mol×K	295.15	Structu...
Cp,solid	129.50	J/mol×K	298.15	Structu...
Cp,solid	130.40	J/mol×K	300.15	Structu...
Cp,solid	132.70	J/mol×K	305.15	Structu...
Cp,solid	135.30	J/mol×K	310.15	Structu...
Cp,solid	137.80	J/mol×K	315.15	Structu...
Cp,solid	140.20	J/mol×K	320.15	Structu...
Cp,solid	142.60	J/mol×K	325.15	Structu...
Cp,solid	145.10	J/mol×K	330.15	Structu...
Cp,solid	147.30	J/mol×K	335.15	Structu...
Cp,solid	150.10	J/mol×K	340.15	Structu...
Cp,solid	152.20	J/mol×K	345.15	Structu...
Cp,solid	155.10	J/mol×K	350.15	Structu...
Cp,solid	157.20	J/mol×K	355.15	Structu...
Cp,solid	159.90	J/mol×K	360.15	Structu...
Cp,solid	163.80	J/mol×K	365.15	Structu...
Cp,solid	166.50	J/mol×K	370.15	Structu...
Cp,solid	169.80	J/mol×K	375.15	Structu...
Cp,solid	172.40	J/mol×K	380.15	Structu...
Cp,solid	175.10	J/mol×K	385.15	Structu...
Cp,solid	177.30	J/mol×K	390.15	Structu...
Cp,solid	180.40	J/mol×K	395.15	Structu...
Cp,solid	183.30	J/mol×K	400.15	Structu...
Cp,solid	186.50	J/mol×K	405.15	Structu...
Cp,solid	189.80	J/mol×K	410.15	Structu...
Cp,solid	193.90	J/mol×K	415.15	Structu...
Cp,solid	197.10	J/mol×K	420.15	Structu...
Cp,solid	200.80	J/mol×K	425.15	Structu...
Cp,solid	202.70	J/mol×K	430.15	Structu...
Cp,solid	204.90	J/mol×K	435.15	Structu...
Cp,solid	207.50	J/mol×K	440.15	Structu...
Cp,solid	210.30	J/mol×K	445.15	Structu...
Cp,solid	213.30	J/mol×K	450.15	Structu...
Cp,solid	215.90	J/mol×K	455.15	Structu...
Cp,solid	219.10	J/mol×K	460.15	Structu...
Cp,solid	222.20	J/mol×K	465.15	Structu...
Cp,solid	224.90	J/mol×K	470.15	Structu...

Similar Compounds

Find more compounds similar to N,N'-Trimethyleneurea.

Sources

• Crippen Method
• Crippen Method
• Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N0-trimethyleneurea
• Joback Method
• McGowan Method
• NIST Webbook

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