Chemical Properties of Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl)

InChI

InChI=1S/C13H22O/c1-9(2)11-7-8-14-13(11)12-6-4-5-10(12)3/h6,9-11,13H,4-5,7-8H2,1-3H3

InChI Key

RLVBOJOICUKZPB-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC1CCC=C1C1OCCC1C(C)C

Molecular Weight¹

194.31

• 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_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.66	kJ/mol	Joback Calculated Property
logPoct/wat	3.404		Crippen Calculated Property
McVol	173.880	ml/mol	McGowan Calculated Property
Inp	[1390.00; 1390.00]
Inp	1390.00		NIST
Inp	1390.00		NIST
Ip	[1705.00; 1705.00]
Ip	1705.00		NIST
Ip	1705.00		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	[230.20; 648.98]	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			-8.62400e+01
Coefficient B			1.36316e+00
Coefficient C			-7.92340e-04
Coefficient D			1.64400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.20	J/mol×K	273.00	Calculated Property
Cp,gas	304.13	J/mol×K	353.78	Calculated Property
Cp,gas	370.00	J/mol×K	434.56	Calculated Property
Cp,gas	428.32	J/mol×K	515.33	Calculated Property
Cp,gas	479.62	J/mol×K	596.11	Calculated Property
Cp,gas	524.42	J/mol×K	676.89	Calculated Property
Cp,gas	563.24	J/mol×K	757.67	Calculated Property
Cp,gas	596.59	J/mol×K	838.44	Calculated Property
Cp,gas	625.00	J/mol×K	919.22	Calculated Property
Cp,gas	648.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033995; 0.0004043]	Pa×s	[278.68; 539.97]	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			-1.00845e+01
Coefficient B			1.22630e+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.			278.68
Temperature range, max.			539.97
η	0.0033995	Pa×s	278.68	Calculated Property
η	0.0022445	Pa×s	307.71	Calculated Property
η	0.0015918	Pa×s	336.74	Calculated Property
η	0.0011923	Pa×s	365.78	Calculated Property
η	0.0009318	Pa×s	394.81	Calculated Property
η	0.0007532	Pa×s	423.84	Calculated Property
η	0.0006257	Pa×s	452.87	Calculated Property
η	0.0005315	Pa×s	481.91	Calculated Property
η	0.0004599	Pa×s	510.94	Calculated Property
η	0.0004043	Pa×s	539.97	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl).

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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