Chemical Properties of Tetrahydrofuran, 2-ethyl-5-methyl- (CAS 931-39-5)

InChI

InChI=1S/C7H14O/c1-3-7-5-4-6(2)8-7/h6-7H,3-5H2,1-2H3

InChI Key

UHMJZZUFLYFOBN-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCC1CCC(C)O1

Molecular Weight¹

114.19

CAS

931-39-5

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.87	kJ/mol	Joback Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
logPoct/wat	1.964		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Tboil	[390.65; 390.65]	K
Tboil	390.65 ± 2.00	K	NIST
Tboil	390.65 ± 2.00	K	NIST
Tfus	164.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[140.38; 389.94]	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			-4.06990e+01
Coefficient B			7.71040e-01
Coefficient C			-4.15100e-04
Coefficient D			7.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.38	J/mol×K	273.00	Calculated Property
Cp,gas	183.43	J/mol×K	353.78	Calculated Property
Cp,gas	222.10	J/mol×K	434.56	Calculated Property
Cp,gas	256.63	J/mol×K	515.33	Calculated Property
Cp,gas	287.24	J/mol×K	596.11	Calculated Property
Cp,gas	314.19	J/mol×K	676.89	Calculated Property
Cp,gas	337.69	J/mol×K	757.67	Calculated Property
Cp,gas	357.99	J/mol×K	838.44	Calculated Property
Cp,gas	375.33	J/mol×K	919.22	Calculated Property
Cp,gas	389.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027670; 0.0003119]	Pa×s	[201.88; 414.19]	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			-1.01482e+01
Coefficient B			8.59640e+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.			201.88
Temperature range, max.			414.19
η	0.0027670	Pa×s	201.88	Calculated Property
η	0.0017723	Pa×s	225.47	Calculated Property
η	0.0012351	Pa×s	249.06	Calculated Property
η	0.0009162	Pa×s	272.65	Calculated Property
η	0.0007128	Pa×s	296.24	Calculated Property
η	0.0005755	Pa×s	319.83	Calculated Property
η	0.0004784	Pa×s	343.42	Calculated Property
η	0.0004073	Pa×s	367.01	Calculated Property
η	0.0003536	Pa×s	390.60	Calculated Property
η	0.0003119	Pa×s	414.19	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 2-ethyl-5-methyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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