Chemical Properties of 1,3-Dioxepane (CAS 505-65-7)

InChI

InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2

InChI Key

CZLMRJZAHXYRIX-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

C1CCOCOC1

Molecular Weight¹

102.13

CAS

505-65-7

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_gas : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3009.00	kJ/mol	NIST
ΔfG°	-160.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-342.03	kJ/mol	Joback Calculated Property
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	36.65	kJ/mol	Joback Calculated Property
IE	9.45	eV	NIST
log10WS	-0.48		Crippen Calculated Property
logPoct/wat	0.771		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
Pc	4736.62	kPa	Joback Calculated Property
Inp	[795.00; 829.00]
Inp	795.00		NIST
Inp	827.00		NIST
Inp	802.00		NIST
Inp	829.00		NIST
I	1176.00		NIST
S°gas	338.60 ± 4.80	J/mol×K	NIST
Tboil	396.19	K	Joback Calculated Property
Tc	612.99	K	Joback Calculated Property
Tfus	207.35	K	Joback Calculated Property
Vc	0.283	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.40; 223.65]	J/mol×K	[396.19; 612.99]
Cp,gas	152.40	J/mol×K	396.19	Joback Calculated Property
Cp,gas	165.94	J/mol×K	432.32	Joback Calculated Property
Cp,gas	178.79	J/mol×K	468.46	Joback Calculated Property
Cp,gas	190.98	J/mol×K	504.59	Joback Calculated Property
Cp,gas	202.51	J/mol×K	540.73	Joback Calculated Property
Cp,gas	213.40	J/mol×K	576.86	Joback Calculated Property
Cp,gas	223.65	J/mol×K	612.99	Joback Calculated Property
Cp,liquid	167.00	J/mol×K	298.00	NIST
η	[0.0003793; 0.0249022]	Pa×s	[207.35; 396.19]
η	0.0249022	Pa×s	207.35	Joback Calculated Property
η	0.0078305	Pa×s	238.82	Joback Calculated Property
η	0.0032237	Pa×s	270.30	Joback Calculated Property
η	0.0015970	Pa×s	301.77	Joback Calculated Property
η	0.0009034	Pa×s	333.24	Joback Calculated Property
η	0.0005639	Pa×s	364.72	Joback Calculated Property
η	0.0003793	Pa×s	396.19	Joback Calculated Property
ΔvapH	41.00	kJ/mol	293.00	NIST

Similar Compounds

Find more compounds similar to 1,3-Dioxepane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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