Chemical Properties of trans-8,9-Epoxy-2-methyloctadecane

InChI

InChI=1S/C19H38O/c1-4-5-6-7-8-9-12-15-18-19(20-18)16-13-10-11-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19-/m0/s1

InChI Key

VGRVBPSIOHIPEH-RTBURBONSA-N

Formula

C19H38O

SMILES

CCCCCCCCC[C@@H]1O[C@H]1CCCCCC(C)C

Molecular Weight¹

282.51

• 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	0.7616		Relay (1.0) Calculated Property
ΔfG°	73.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-481.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.63	kJ/mol	Joback Calculated Property
ΔvapH°	86.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	6.501		Crippen Calculated Property
McVol	273.580	ml/mol	McGowan Calculated Property
Pc	1152.22	kPa	Joback Calculated Property
Inp	[2015.00; 2015.00]
Inp	2015.00		NIST
Inp	2015.00		NIST
Tboil	589.78	K	Relay (1.0) Calculated Property
Tc	779.07	K	Relay (1.0) Calculated Property
Tfus	296.05	K	Relay (1.0) Calculated Property
Vc	1.101	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.41; 1006.01]	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			-4.30470e+01
Coefficient B			1.93616e+00
Coefficient C			-1.16390e-03
Coefficient D			2.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.41	J/mol×K	273.00	Calculated Property
Cp,gas	508.51	J/mol×K	353.78	Calculated Property
Cp,gas	601.25	J/mol×K	434.56	Calculated Property
Cp,gas	683.51	J/mol×K	515.33	Calculated Property
Cp,gas	756.16	J/mol×K	596.11	Calculated Property
Cp,gas	820.09	J/mol×K	676.89	Calculated Property
Cp,gas	876.16	J/mol×K	757.67	Calculated Property
Cp,gas	925.26	J/mol×K	838.44	Calculated Property
Cp,gas	968.25	J/mol×K	919.22	Calculated Property
Cp,gas	1006.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033344; 0.0004015]	Pa×s	[329.16; 582.88]	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			-1.05663e+01
Coefficient B			1.60064e+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.			329.16
Temperature range, max.			582.88
η	0.0033344	Pa×s	329.16	Calculated Property
η	0.0022720	Pa×s	357.35	Calculated Property
η	0.0016374	Pa×s	385.54	Calculated Property
η	0.0012340	Pa×s	413.73	Calculated Property
η	0.0009641	Pa×s	441.92	Calculated Property
η	0.0007759	Pa×s	470.12	Calculated Property
η	0.0006400	Pa×s	498.31	Calculated Property
η	0.0005388	Pa×s	526.50	Calculated Property
η	0.0004617	Pa×s	554.69	Calculated Property
η	0.0004015	Pa×s	582.88	Calculated Property

Similar Compounds

Find more compounds similar to trans-8,9-Epoxy-2-methyloctadecane.

Sources

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

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