Chemical Properties of Ethoxymethoxycyclododecane (Boisambrene)

InChI

InChI=1S/C15H30O/c1-2-16-14-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3

InChI Key

OGYDYKGQVKCZED-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CCOCC1CCCCCCCCCCC1

Molecular Weight¹

226.40

• 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).
• 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.
• 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
ω	0.3593		Relay (1.0) Calculated Property
ΔfG°	-77.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.03	kJ/mol	Joback Calculated Property
ΔvapH°	69.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	4.944		Crippen Calculated Property
McVol	217.220	ml/mol	McGowan Calculated Property
Pc	1857.91	kPa	Joback Calculated Property
Inp	[1704.20; 1735.90]
Inp	1704.20		NIST
Inp	1718.30		NIST
Inp	1735.90		NIST
I	[2001.50; 2061.10]
I	2001.50		NIST
I	2022.10		NIST
I	2061.10		NIST
Tboil	576.20	K	Relay (1.0) Calculated Property
Tc	771.31	K	Relay (1.0) Calculated Property
Tfus	243.02	K	Relay (1.0) Calculated Property
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.62; 807.44]	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			-8.15780e+01
Coefficient B			1.43012e+00
Coefficient C			-4.83800e-04
Coefficient D			-5.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.62	J/mol×K	273.00	Calculated Property
Cp,gas	361.28	J/mol×K	353.78	Calculated Property
Cp,gas	443.83	J/mol×K	434.56	Calculated Property
Cp,gas	519.09	J/mol×K	515.33	Calculated Property
Cp,gas	586.88	J/mol×K	596.11	Calculated Property
Cp,gas	647.02	J/mol×K	676.89	Calculated Property
Cp,gas	699.32	J/mol×K	757.67	Calculated Property
Cp,gas	743.62	J/mol×K	838.44	Calculated Property
Cp,gas	779.72	J/mol×K	919.22	Calculated Property
Cp,gas	807.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0259074; 0.0000356]	Pa×s	[267.30; 583.89]	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			-1.58097e+01
Coefficient B			3.24942e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.30
Temperature range, max.			583.89
η	0.0259074	Pa×s	267.30	Calculated Property
η	0.0063016	Pa×s	302.48	Calculated Property
η	0.0020578	Pa×s	337.65	Calculated Property
η	0.0008300	Pa×s	372.83	Calculated Property
η	0.0003915	Pa×s	408.00	Calculated Property
η	0.0002081	Pa×s	443.18	Calculated Property
η	0.0001214	Pa×s	478.36	Calculated Property
η	0.0000762	Pa×s	513.53	Calculated Property
η	0.0000508	Pa×s	548.71	Calculated Property
η	0.0000356	Pa×s	583.89	Calculated Property

Similar Compounds

Find more compounds similar to Ethoxymethoxycyclododecane (Boisambrene).

Sources

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

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