Chemical Properties of Furan, 2-butyltetrahydro- (CAS 1004-29-1)

InChI

InChI=1S/C8H16O/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3

InChI Key

GBOMEIMCQWMHGB-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CCCCC1CCCO1

Molecular Weight¹

128.21

CAS

1004-29-1

Other Names

• 2-Butyltetrahydrofuran
• Octane, 1,4-epoxy-

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3713		Relay (1.0) Calculated Property
ΔfG°	-33.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-254.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	47.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
logPoct/wat	2.356		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[975.00; 1026.00]
Inp	981.00		NIST
Inp	1026.00		NIST
Inp	975.00		NIST
Inp	1026.00		NIST
Inp	981.00		NIST
Tboil	429.40	K	Relay (1.0) Calculated Property
Tc	628.61	K	Relay (1.0) Calculated Property
Tfus	188.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[159.33; 434.87]	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			-4.75470e+01
Coefficient B			8.92520e-01
Coefficient C			-5.24900e-04
Coefficient D			1.14800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.33	J/mol×K	273.00	Calculated Property
Cp,gas	207.59	J/mol×K	353.78	Calculated Property
Cp,gas	250.60	J/mol×K	434.56	Calculated Property
Cp,gas	288.71	J/mol×K	515.33	Calculated Property
Cp,gas	322.29	J/mol×K	596.11	Calculated Property
Cp,gas	351.70	J/mol×K	676.89	Calculated Property
Cp,gas	377.29	J/mol×K	757.67	Calculated Property
Cp,gas	399.45	J/mol×K	838.44	Calculated Property
Cp,gas	418.52	J/mol×K	919.22	Calculated Property
Cp,gas	434.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053353; 0.0003411]	Pa×s	[217.39; 432.64]	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			-1.07603e+01
Coefficient B			1.20149e+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.			217.39
Temperature range, max.			432.64
η	0.0053353	Pa×s	217.39	Calculated Property
η	0.0030850	Pa×s	241.31	Calculated Property
η	0.0019691	Pa×s	265.22	Calculated Property
η	0.0013537	Pa×s	289.14	Calculated Property
η	0.0009855	Pa×s	313.06	Calculated Property
η	0.0007505	Pa×s	336.98	Calculated Property
η	0.0005926	Pa×s	360.89	Calculated Property
η	0.0004818	Pa×s	384.81	Calculated Property
η	0.0004013	Pa×s	408.73	Calculated Property
η	0.0003411	Pa×s	432.64	Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-butyltetrahydro-.

Sources

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

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