Chemical Properties of 1,3,5-Trioxane (CAS 110-88-3)

InChI

InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2

InChI Key

BGJSXRVXTHVRSN-UHFFFAOYSA-N

Formula

C3H6O3

SMILES

C1OCOCO1

Molecular Weight¹

90.08

CAS

110-88-3

Other Names

• 1,3,5-Trioxacyclohexane
• 1,3,5-Trioxan
• Aldeform
• Formagene
• Formaldehyde, trimer
• Marvosan
• Metaformaldehyde
• NSC 26347
• Paraformaldehyde
• S-TRIOXANE
• TRIOXYMETHYLENE
• Triformol
• Triossimetilene
• Trioxan
• Trioxane
• Trioxin
• Trioxymethyleen
• Trioxymethylen
• s-Trioxan
• s-Trixane
• sym-Trioxane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_gas : Molar entropy at standard conditions (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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-1518.00; -1492.00]	kJ/mol
ΔcH°solid	-1515.30	kJ/mol	NIST
ΔcH°solid	-1515.70 ± 0.30	kJ/mol	NIST
ΔcH°solid	-1492.00 ± 1.00	kJ/mol	NIST
ΔcH°solid	-1518.00	kJ/mol	NIST
ΔfG°	-251.82	kJ/mol	Joback Calculated Property
ΔfH°gas	[-489.50; -464.00]	kJ/mol
ΔfH°gas	-465.76 ± 0.50	kJ/mol	NIST
ΔfH°gas	-489.50	kJ/mol	NIST
ΔfH°gas	-464.00	kJ/mol	NIST
ΔfH°solid	[-546.00; -520.49]	kJ/mol
ΔfH°solid	-522.30 ± 0.40	kJ/mol	NIST
ΔfH°solid	-546.00 ± 11.00	kJ/mol	NIST
ΔfH°solid	-520.49	kJ/mol	NIST
ΔfusH°	18.23	kJ/mol	Joback Calculated Property
ΔsubH°	[48.50; 56.60]	kJ/mol
ΔsubH°	55.60	kJ/mol	NIST
ΔsubH°	56.50	kJ/mol	NIST
ΔsubH°	56.60 ± 0.20	kJ/mol	NIST
ΔsubH°	56.50	kJ/mol	NIST
ΔsubH°	56.20 ± 0.20	kJ/mol	NIST
ΔsubH°	Outlier 48.50 ± 2.50	kJ/mol	NIST
ΔvapH°	36.54	kJ/mol	Joback Calculated Property
IE	[10.30; 10.80]	eV
IE	10.30	eV	NIST
IE	10.59 ± 0.05	eV	NIST
IE	10.80	eV	NIST
log10WS	0.28		Crippen Calculated Property
logPoct/wat	-0.078		Crippen Calculated Property
McVol	59.880	ml/mol	McGowan Calculated Property
Pc	5962.94	kPa	Joback Calculated Property
Inp	[650.00; 660.00]
Inp	650.00		NIST
Inp	660.00		NIST
Inp	658.00		NIST
I	[1167.00; 1167.00]
I	1167.00		NIST
I	1167.00		NIST
S°gas	284.90 ± 3.40	J/mol×K	NIST
S°solid,1 bar	[133.00; 142.89]	J/mol×K
S°solid,1 bar	142.89	J/mol×K	NIST
S°solid,1 bar	133.00	J/mol×K	NIST
Tboil	373.11	K	Joback Calculated Property
Tc	585.00	K	Joback Calculated Property
Tfus	335.65 ± 1.50	K	NIST
Ttriple	333.44 ± 0.02	K	NIST
Vc	0.201	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.71; 158.33]	J/mol×K	[373.11; 585.00]
T(K) Ideal gas heat capacity (J/mol×K) 110 120 130 140 150 160 400 450 500 550
Cp,gas	109.71	J/mol×K	373.11	Joback Calculated Property
Cp,gas	118.97	J/mol×K	408.43	Joback Calculated Property
Cp,gas	127.75	J/mol×K	443.74	Joback Calculated Property
Cp,gas	136.06	J/mol×K	479.06	Joback Calculated Property
Cp,gas	143.93	J/mol×K	514.37	Joback Calculated Property
Cp,gas	151.34	J/mol×K	549.69	Joback Calculated Property
Cp,gas	158.33	J/mol×K	585.00	Joback Calculated Property
Cp,solid	[111.40; 113.08]	J/mol×K	[298.15; 298.15]
Cp,solid	113.08	J/mol×K	298.15	NIST
Cp,solid	111.40	J/mol×K	298.15	NIST
η	[0.0005292; 0.0136050]	Pa×s	[214.90; 373.11]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 250 300 350
η	0.0136050	Pa×s	214.90	Joback Calculated Property
η	0.0058920	Pa×s	241.27	Joback Calculated Property
η	0.0030091	Pa×s	267.64	Joback Calculated Property
η	0.0017337	Pa×s	294.00	Joback Calculated Property
η	0.0010937	Pa×s	320.37	Joback Calculated Property
η	0.0007401	Pa×s	346.74	Joback Calculated Property
η	0.0005292	Pa×s	373.11	Joback Calculated Property
ΔfusH	[15.10; 15.11]	kJ/mol	[333.40; 333.44]
ΔfusH	15.10	kJ/mol	333.40	NIST
ΔfusH	15.10	kJ/mol	333.40	NIST
ΔfusH	15.11	kJ/mol	333.40	NIST
ΔfusH	15.11	kJ/mol	333.44	NIST
ΔsubH	57.90	kJ/mol	221.50	NIST
ΔvapH	40.00	kJ/mol	357.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[288.76; 412.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47991e+01
Coefficient B			-3.39060e+03
Coefficient C			-5.51110e+01
Temperature range, min.			288.76
Temperature range, max.			412.48
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	1.33	kPa	288.76	Calculated Property
Pvap	2.99	kPa	302.51	Calculated Property
Pvap	6.14	kPa	316.25	Calculated Property
Pvap	11.76	kPa	330.00	Calculated Property
Pvap	21.16	kPa	343.75	Calculated Property
Pvap	36.10	kPa	357.49	Calculated Property
Pvap	58.78	kPa	371.24	Calculated Property
Pvap	91.90	kPa	384.99	Calculated Property
Pvap	138.64	kPa	398.73	Calculated Property
Pvap	202.64	kPa	412.48	Calculated Property
Pvap	[11.31; 5791.65]	kPa	[329.00; 604.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.45411e+01
Coefficient B			-7.85949e+03
Coefficient C			-1.01570e+01
Coefficient D			5.95284e-06
Temperature range, min.			329.00
Temperature range, max.			604.40
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 400 500 600
Pvap	11.31	kPa	329.00	Calculated Property
Pvap	39.68	kPa	359.60	Calculated Property
Pvap	110.17	kPa	390.20	Calculated Property
Pvap	256.62	kPa	420.80	Calculated Property
Pvap	523.03	kPa	451.40	Calculated Property
Pvap	961.82	kPa	482.00	Calculated Property
Pvap	1633.08	kPa	512.60	Calculated Property
Pvap	2605.42	kPa	543.20	Calculated Property
Pvap	3959.17	kPa	573.80	Calculated Property
Pvap	5791.65	kPa	604.40	Calculated Property

Similar Compounds

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

Mixtures

• 1,3,5-Trioxane + Water
• 1,3,5-Trioxane + Methyl Alcohol
• Ethanol + 1,3,5-Trioxane
• Isopropyl Alcohol + 1,3,5-Trioxane
• Formaldehyde + 1,3,5-Trioxane + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Partial molar volumes of organic solutes in water. XXII. Cyclic ethers at temperatures (298 to 573) K and pressures up to 30 MPa
• Solubility of Formaldehyde and Trioxane in Aqueous Solutions
• Solubility of 1,3,5-Trioxane in Methanol, Ethanol, and 2-Propanol
• New Experimental Results for the Vapor-Liquid Equilibrium of the Binary System (Trioxane + Water) and the Ternary System (Formaldehyde + Trioxane + Water)
• Joback Method
• KDB
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.