Chemical Properties of 2-Methyl-Z-7,8-epoxyhexadecane

InChI

InChI=1S/C17H34O/c1-4-5-6-7-8-9-13-16-17(18-16)14-11-10-12-15(2)3/h15-17H,4-14H2,1-3H3

InChI Key

QVIBKECDBFIZNV-UHFFFAOYSA-N

Formula

C17H34O

SMILES

CCCCCCCCC1OC1CCCCC(C)C

Molecular Weight¹

254.45

Other Names

• 2-(5-Methyl-hexyl)-3-octyl-oxirane

• 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.
• 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	0.7050		Relay (1.0) Calculated Property
ΔfG°	56.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.45	kJ/mol	Joback Calculated Property
ΔvapH°	83.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-6.34		Relay (1.0) Calculated Property
logPoct/wat	5.721		Crippen Calculated Property
McVol	245.400	ml/mol	McGowan Calculated Property
Pc	1318.48	kPa	Joback Calculated Property
Inp	[1795.00; 1795.00]
Inp	1795.00		NIST
Inp	1795.00		NIST
Tboil	569.08	K	Relay (1.0) Calculated Property
Tc	740.95	K	Relay (1.0) Calculated Property
Tfus	283.86	K	Relay (1.0) Calculated Property
Vc	0.961	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.98; 902.83]	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			-4.12290e+01
Coefficient B			1.74616e+00
Coefficient C			-1.05510e-03
Coefficient D			2.53000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.98	J/mol×K	273.00	Calculated Property
Cp,gas	455.67	J/mol×K	353.78	Calculated Property
Cp,gas	539.09	J/mol×K	434.56	Calculated Property
Cp,gas	613.05	J/mol×K	515.33	Calculated Property
Cp,gas	678.34	J/mol×K	596.11	Calculated Property
Cp,gas	735.77	J/mol×K	676.89	Calculated Property
Cp,gas	786.13	J/mol×K	757.67	Calculated Property
Cp,gas	830.23	J/mol×K	838.44	Calculated Property
Cp,gas	868.86	J/mol×K	919.22	Calculated Property
Cp,gas	902.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034590; 0.0004481]	Pa×s	[306.62; 551.16]	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			-1.02729e+01
Coefficient B			1.41232e+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.			306.62
Temperature range, max.			551.16
η	0.0034590	Pa×s	306.62	Calculated Property
η	0.0023775	Pa×s	333.79	Calculated Property
η	0.0017290	Pa×s	360.96	Calculated Property
η	0.0013147	Pa×s	388.13	Calculated Property
η	0.0010362	Pa×s	415.31	Calculated Property
η	0.0008409	Pa×s	442.48	Calculated Property
η	0.0006991	Pa×s	469.65	Calculated Property
η	0.0005931	Pa×s	496.82	Calculated Property
η	0.0005118	Pa×s	523.99	Calculated Property
η	0.0004481	Pa×s	551.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-Z-7,8-epoxyhexadecane.

Sources

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

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