Chemical Properties of 1,3-DIOXEPANE, 2-HEPTYL-

InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-9-12-13-10-7-8-11-14-12/h12H,2-11H2,1H3

InChI Key

JPISZFLCOGWKHT-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCCC1OCCCCO1

Molecular Weight¹

200.32

Other Names

• 2-Heptyl-1,3-dioxepane

• ω : Acentric Factor.
• 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.76; 664.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.41040e+01
Coefficient B			1.25032e+00
Coefficient C			-6.35800e-04
Coefficient D			9.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.76	J/mol×K	273.00	Calculated Property
Cp,gas	322.81	J/mol×K	353.78	Calculated Property
Cp,gas	386.87	J/mol×K	434.56	Calculated Property
Cp,gas	444.23	J/mol×K	515.33	Calculated Property
Cp,gas	495.19	J/mol×K	596.11	Calculated Property
Cp,gas	540.04	J/mol×K	676.89	Calculated Property
Cp,gas	579.08	J/mol×K	757.67	Calculated Property
Cp,gas	612.61	J/mol×K	838.44	Calculated Property
Cp,gas	640.92	J/mol×K	919.22	Calculated Property
Cp,gas	664.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086681; 0.0002234]	Pa×s	[282.00; 524.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26621e+01
Coefficient B			2.23174e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			282.00
Temperature range, max.			524.46
η	0.0086681	Pa×s	282.00	Calculated Property
η	0.0043473	Pa×s	308.94	Calculated Property
η	0.0024355	Pa×s	335.88	Calculated Property
η	0.0014871	Pa×s	362.82	Calculated Property
η	0.0009720	Pa×s	389.76	Calculated Property
η	0.0006713	Pa×s	416.70	Calculated Property
η	0.0004849	Pa×s	443.64	Calculated Property
η	0.0003636	Pa×s	470.58	Calculated Property
η	0.0002812	Pa×s	497.52	Calculated Property
η	0.0002234	Pa×s	524.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-DIOXEPANE, 2-HEPTYL-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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