Chemical Properties of 1,3,5-Triazine (CAS 290-87-9)

InChI

InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H

InChI Key

JIHQDMXYYFUGFV-UHFFFAOYSA-N

Formula

C3H3N3

SMILES

c1ncncn1

Molecular Weight¹

81.08

CAS

290-87-9

Other Names

• s-Triazine
• Cyanidine
• Vedita 250
• s-Triazine-(1,3,5)
• sym-Triazine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	848.80	kJ/mol	NIST
BasG	819.60	kJ/mol	NIST
ΔcH°liquid	-1782.60 ± 0.92	kJ/mol	NIST
ΔcH°solid	-1780.96 ± 0.67	kJ/mol	NIST
EA	0.45	eV	NIST
ΔfH°gas	[224.70; 225.87]	kJ/mol
ΔfH°gas	225.87 ± 0.89	kJ/mol	NIST
ΔfH°gas	224.70 ± 4.60	kJ/mol	NIST
ΔfH°solid	171.69 ± 0.77	kJ/mol	NIST
ΔsubH°	[54.18; 56.50]	kJ/mol
ΔsubH°	54.18 ± 0.19	kJ/mol	NIST
ΔsubH°	54.20	kJ/mol	NIST
ΔsubH°	54.20 ± 0.20	kJ/mol	NIST
ΔsubH°	56.50 ± 2.10	kJ/mol	NIST
ΔvapH°	[38.80; 55.20]	kJ/mol
ΔvapH°	38.80 ± 1.90	kJ/mol	NIST
ΔvapH°	55.20 ± 0.10	kJ/mol	NIST
IE	[9.80; 10.51]	eV
IE	9.80	eV	NIST
IE	9.98	eV	NIST
IE	10.01 ± 0.01	eV	NIST
IE	10.10	eV	NIST
IE	10.07 ± 0.05	eV	NIST
IE	Outlier 10.51	eV	NIST
log10WS	-0.77		Crippen Calculated Property
logPoct/wat	-0.128		Crippen Calculated Property
McVol	59.310	ml/mol	McGowan Calculated Property
Inp	[663.00; 663.00]
Inp	663.00		NIST
Inp	663.00		NIST
S°solid,1 bar	125.97	J/mol×K	NIST
Tboil	387.20	K	NIST
Ttriple	[353.44; 353.90]	K
Ttriple	353.44 ± 0.02	K	NIST
Ttriple	353.90 ± 0.20	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[95.57; 95.60]	J/mol×K	[298.15; 298.15]
Cp,solid	95.57	J/mol×K	298.15	NIST
Cp,solid	95.60	J/mol×K	298.15	NIST
ΔfusH	[0.07; 14.56]	kJ/mol	[197.70; 353.40]
ΔfusH	0.07	kJ/mol	197.70	NIST
ΔfusH	14.56	kJ/mol	353.40	NIST
ΔfusH	14.56	kJ/mol	353.40	NIST
ΔsubH	58.20	kJ/mol	220.50	NIST
ΔfusS	[0.37; 41.20]	J/mol×K	[197.70; 353.40]
ΔfusS	0.37	J/mol×K	197.70	NIST
ΔfusS	41.20	J/mol×K	353.40	NIST

Similar Compounds

Find more compounds similar to 1,3,5-Triazine.

Sources

• Crippen Method
• Crippen Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.