Chemical Properties of trans-2-Methyl-5H-propenylfuran

InChI

InChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h3-8H,1-2H3/b4-3+/t7-,8-/m1/s1

InChI Key

BJVSJRZODCHFFY-ATXJSMISSA-N

Formula

C8H12O

SMILES

CC=CC1C=CC(C)O1

Molecular Weight¹

124.18

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.89	kJ/mol	Joback Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Ip	[1304.00; 1304.00]
Ip	1304.00		NIST
Ip	1304.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[141.11; 379.65]	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			-4.80100e+01
Coefficient B			8.30040e-01
Coefficient C			-5.40580e-04
Coefficient D			1.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.11	J/mol×K	273.00	Calculated Property
Cp,gas	184.10	J/mol×K	353.78	Calculated Property
Cp,gas	221.95	J/mol×K	434.56	Calculated Property
Cp,gas	255.09	J/mol×K	515.33	Calculated Property
Cp,gas	283.97	J/mol×K	596.11	Calculated Property
Cp,gas	309.01	J/mol×K	676.89	Calculated Property
Cp,gas	330.67	J/mol×K	757.67	Calculated Property
Cp,gas	349.37	J/mol×K	838.44	Calculated Property
Cp,gas	365.55	J/mol×K	919.22	Calculated Property
Cp,gas	379.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021076; 0.0002585]	Pa×s	[208.83; 439.86]	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			-1.01572e+01
Coefficient B			8.34280e+02
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.			208.83
Temperature range, max.			439.86
η	0.0021076	Pa×s	208.83	Calculated Property
η	0.0013610	Pa×s	234.50	Calculated Property
η	0.0009581	Pa×s	260.17	Calculated Property
η	0.0007184	Pa×s	285.84	Calculated Property
η	0.0005648	Pa×s	311.51	Calculated Property
η	0.0004606	Pa×s	337.18	Calculated Property
η	0.0003866	Pa×s	362.85	Calculated Property
η	0.0003322	Pa×s	388.52	Calculated Property
η	0.0002908	Pa×s	414.19	Calculated Property
η	0.0002585	Pa×s	439.86	Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Methyl-5H-propenylfuran.

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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