Chemical Properties of Oxirane, hexadecyl- (CAS 7390-81-0)

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3

InChI Key

QBJWYMFTMJFGOL-UHFFFAOYSA-N

Formula

C18H36O

SMILES

CCCCCCCCCCCCCCCCC1CO1

Molecular Weight¹

268.48

CAS

7390-81-0

Other Names

• 1,2-Epoxyoctadecane
• Hexadecyl 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_boilr : Boiling point at reduced pressure (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	0.8213		Relay (1.0) Calculated Property
ΔfG°	75.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.49	kJ/mol	Joback Calculated Property
ΔvapH°	103.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	6.257		Crippen Calculated Property
McVol	259.490	ml/mol	McGowan Calculated Property
Pc	1253.03	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	582.28	K	Relay (1.0) Calculated Property
Tc	767.36	K	Relay (1.0) Calculated Property
Tfus	304.43	K	Relay (1.0) Calculated Property
Vc	1.046	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.25; 947.22]	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			-4.63950e+01
Coefficient B			1.86172e+00
Coefficient C			-1.16170e-03
Coefficient D			2.93600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.25	J/mol×K	273.00	Calculated Property
Cp,gas	479.84	J/mol×K	353.78	Calculated Property
Cp,gas	567.35	J/mol×K	434.56	Calculated Property
Cp,gas	644.68	J/mol×K	515.33	Calculated Property
Cp,gas	712.78	J/mol×K	596.11	Calculated Property
Cp,gas	772.57	J/mol×K	676.89	Calculated Property
Cp,gas	824.98	J/mol×K	757.67	Calculated Property
Cp,gas	870.94	J/mol×K	838.44	Calculated Property
Cp,gas	911.38	J/mol×K	919.22	Calculated Property
Cp,gas	947.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032727; 0.0004107]	Pa×s	[337.13; 569.16]	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			-1.08132e+01
Coefficient B			1.71635e+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.			337.13
Temperature range, max.			569.16
η	0.0032727	Pa×s	337.13	Calculated Property
η	0.0022795	Pa×s	362.91	Calculated Property
η	0.0016657	Pa×s	388.69	Calculated Property
η	0.0012656	Pa×s	414.47	Calculated Property
η	0.0009931	Pa×s	440.26	Calculated Property
η	0.0008004	Pa×s	466.04	Calculated Property
η	0.0006599	Pa×s	491.82	Calculated Property
η	0.0005546	Pa×s	517.60	Calculated Property
η	0.0004739	Pa×s	543.38	Calculated Property
η	0.0004107	Pa×s	569.16	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, hexadecyl-.

Sources

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

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