Chemical Properties of (7S,8R)-cis-7,8-epoxy-octadecane [(-)-monachalure]

InChI

InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1

InChI Key

ABMJUFOPOPEJRG-QZTJIDSGSA-N

Formula

C18H36O

SMILES

CCCCCCCCCCC1OC1CCCCCC

Molecular Weight¹

268.48

• 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	0.7741		Relay (1.0) Calculated Property
ΔfG°	67.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.56	kJ/mol	Joback Calculated Property
ΔvapH°	93.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-6.71		Relay (1.0) Calculated Property
logPoct/wat	6.255		Crippen Calculated Property
McVol	259.490	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Inp	[1971.00; 1971.00]
Inp	1971.00		NIST
Inp	1971.00		NIST
Tboil	577.62	K	Relay (1.0) Calculated Property
Tc	760.83	K	Relay (1.0) Calculated Property
Tfus	301.28	K	Relay (1.0) Calculated Property
Vc	1.026	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.51; 953.88]	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			-4.04560e+01
Coefficient B			1.83524e+00
Coefficient C			-1.10630e-03
Coefficient D			2.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.51	J/mol×K	273.00	Calculated Property
Cp,gas	482.10	J/mol×K	353.78	Calculated Property
Cp,gas	569.92	J/mol×K	434.56	Calculated Property
Cp,gas	647.83	J/mol×K	515.33	Calculated Property
Cp,gas	716.65	J/mol×K	596.11	Calculated Property
Cp,gas	777.22	J/mol×K	676.89	Calculated Property
Cp,gas	830.40	J/mol×K	757.67	Calculated Property
Cp,gas	877.01	J/mol×K	838.44	Calculated Property
Cp,gas	917.89	J/mol×K	919.22	Calculated Property
Cp,gas	953.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028162; 0.0004585]	Pa×s	[332.89; 565.62]	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			-1.02842e+01
Coefficient B			1.46866e+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.			332.89
Temperature range, max.			565.62
η	0.0028162	Pa×s	332.89	Calculated Property
η	0.0020491	Pa×s	358.75	Calculated Property
η	0.0015560	Pa×s	384.61	Calculated Property
η	0.0012233	Pa×s	410.47	Calculated Property
η	0.0009896	Pa×s	436.32	Calculated Property
η	0.0008197	Pa×s	462.18	Calculated Property
η	0.0006927	Pa×s	488.04	Calculated Property
η	0.0005954	Pa×s	513.90	Calculated Property
η	0.0005192	Pa×s	539.76	Calculated Property
η	0.0004585	Pa×s	565.62	Calculated Property

Similar Compounds

Find more compounds similar to (7S,8R)-cis-7,8-epoxy-octadecane [(-)-monachalure].

Sources

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

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