Chemical Properties of E-1-Methoxy-3-hexene (CAS 121441-40-5)

InChI

InChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+

InChI Key

KUPODEXLSGEWFR-SNAWJCMRSA-N

Formula

C7H14O

SMILES

CCC=CCCOC

Molecular Weight¹

114.19

CAS

121441-40-5

Other Names

• (3E)-1-Methoxy-3-hexene
• (E)-3-Hexenyl methyl ether
• trans-1-Methoxy-3-hexene

• 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	0.3046		Relay (1.0) Calculated Property
ΔfG°	-16.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.28	kJ/mol	Joback Calculated Property
ΔvapH°	42.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-1.47		Relay (1.0) Calculated Property
logPoct/wat	1.989		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	2906.11	kPa	Joback Calculated Property
Inp	[810.00; 810.00]
Inp	810.00		NIST
Inp	810.00		NIST
I	[974.00; 974.00]
I	974.00		NIST
I	974.00		NIST
Tboil	387.19	K	Relay (1.0) Calculated Property
Tc	563.20	K	Relay (1.0) Calculated Property
Tfus	174.32	K	Relay (1.0) Calculated Property
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.38; 368.38]	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			7.84300e+00
Coefficient B			6.25640e-01
Coefficient C			-3.29800e-04
Coefficient D			6.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.38	J/mol×K	273.00	Calculated Property
Cp,gas	190.77	J/mol×K	353.78	Calculated Property
Cp,gas	222.75	J/mol×K	434.56	Calculated Property
Cp,gas	251.53	J/mol×K	515.33	Calculated Property
Cp,gas	277.31	J/mol×K	596.11	Calculated Property
Cp,gas	300.29	J/mol×K	676.89	Calculated Property
Cp,gas	320.69	J/mol×K	757.67	Calculated Property
Cp,gas	338.70	J/mol×K	838.44	Calculated Property
Cp,gas	354.53	J/mol×K	919.22	Calculated Property
Cp,gas	368.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036187; 0.0001766]	Pa×s	[185.80; 391.50]	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			-1.13692e+01
Coefficient B			1.06789e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			185.80
Temperature range, max.			391.50
η	0.0036187	Pa×s	185.80	Calculated Property
η	0.0019282	Pa×s	208.66	Calculated Property
η	0.0011634	Pa×s	231.51	Calculated Property
η	0.0007686	Pa×s	254.37	Calculated Property
η	0.0005438	Pa×s	277.22	Calculated Property
η	0.0004055	Pa×s	300.08	Calculated Property
η	0.0003152	Pa×s	322.93	Calculated Property
η	0.0002533	Pa×s	345.79	Calculated Property
η	0.0002092	Pa×s	368.64	Calculated Property
η	0.0001766	Pa×s	391.50	Calculated Property

Similar Compounds

Find more compounds similar to E-1-Methoxy-3-hexene.

Sources

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

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