Chemical Properties of 1-Heptene, 3-methoxy- (CAS 14093-58-4)

InChI

InChI=1S/C8H16O/c1-4-6-7-8(5-2)9-3/h5,8H,2,4,6-7H2,1,3H3

InChI Key

IAWBTGWBVHANJP-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C=CC(CCCC)OC

Molecular Weight¹

128.21

CAS

14093-58-4

Other Names

• Ether, 1-butylallyl methyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.47; 422.58]	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			1.64430e+01
Coefficient B			6.86540e-01
Coefficient C			-3.26500e-04
Coefficient D			4.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.47	J/mol×K	273.00	Calculated Property
Cp,gas	220.50	J/mol×K	353.78	Calculated Property
Cp,gas	256.91	J/mol×K	434.56	Calculated Property
Cp,gas	289.84	J/mol×K	515.33	Calculated Property
Cp,gas	319.44	J/mol×K	596.11	Calculated Property
Cp,gas	345.86	J/mol×K	676.89	Calculated Property
Cp,gas	369.23	J/mol×K	757.67	Calculated Property
Cp,gas	389.71	J/mol×K	838.44	Calculated Property
Cp,gas	407.45	J/mol×K	919.22	Calculated Property
Cp,gas	422.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060092; 0.0002092]	Pa×s	[185.39; 400.69]	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			-1.13633e+01
Coefficient B			1.15847e+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.			185.39
Temperature range, max.			400.69
η	0.0060092	Pa×s	185.39	Calculated Property
η	0.0029421	Pa×s	209.31	Calculated Property
η	0.0016677	Pa×s	233.23	Calculated Property
η	0.0010506	Pa×s	257.16	Calculated Property
η	0.0007160	Pa×s	281.08	Calculated Property
η	0.0005183	Pa×s	305.00	Calculated Property
η	0.0003932	Pa×s	328.92	Calculated Property
η	0.0003097	Pa×s	352.84	Calculated Property
η	0.0002514	Pa×s	376.77	Calculated Property
η	0.0002092	Pa×s	400.69	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptene, 3-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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