Chemical Properties of 1,3,5-Trioxepane (CAS 5981-06-6)

InChI

InChI=1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2

InChI Key

ULAGGPJVDRGWTI-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

C1COCOCO1

Molecular Weight¹

104.10

CAS

5981-06-6

Other Names

• 1,3,5-Trioxacycloheptane

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-255.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-453.39	kJ/mol	Joback Calculated Property
ΔfusH°	18.72	kJ/mol	Joback Calculated Property
ΔvapH°	38.94	kJ/mol	Joback Calculated Property
IE	9.62	eV	NIST
log10WS	0.36		Crippen Calculated Property
logPoct/wat	-0.035		Crippen Calculated Property
McVol	73.970	ml/mol	McGowan Calculated Property
Pc	5359.18	kPa	Joback Calculated Property
Inp	[771.00; 793.00]
Inp	771.00		NIST
Inp	793.00		NIST
Tboil	400.26	K	Joback Calculated Property
Tc	619.45	K	Joback Calculated Property
Tfus	222.65	K	Joback Calculated Property
Vc	0.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.58; 204.25]	J/mol×K	[400.26; 619.45]
Cp,gas	142.58	J/mol×K	400.26	Joback Calculated Property
Cp,gas	154.30	J/mol×K	436.79	Joback Calculated Property
Cp,gas	165.43	J/mol×K	473.32	Joback Calculated Property
Cp,gas	175.99	J/mol×K	509.85	Joback Calculated Property
Cp,gas	185.98	J/mol×K	546.39	Joback Calculated Property
Cp,gas	195.39	J/mol×K	582.92	Joback Calculated Property
Cp,gas	204.25	J/mol×K	619.45	Joback Calculated Property
η	[0.0004402; 0.0215820]	Pa×s	[222.65; 400.26]
η	0.0215820	Pa×s	222.65	Joback Calculated Property
η	0.0077099	Pa×s	252.25	Joback Calculated Property
η	0.0034190	Pa×s	281.85	Joback Calculated Property
η	0.0017697	Pa×s	311.45	Joback Calculated Property
η	0.0010269	Pa×s	341.06	Joback Calculated Property
η	0.0006500	Pa×s	370.66	Joback Calculated Property
η	0.0004402	Pa×s	400.26	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback 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.