Chemical Properties of Benzofuran, octahydro-, cis-

InChI

InChI=1S/C8H14O/c1-2-4-8-7(3-1)5-6-9-8/h7-8H,1-6H2/t7-,8-/m1/s1

InChI Key

DNZWAKVIOXCEHH-YUMQZZPRSA-N

Formula

C8H14O

SMILES

C1CC[C@H]2OCC[C@H]2C1

Molecular Weight¹

126.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-206.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.42	kJ/mol	Joback Calculated Property
ΔvapH°	47.51	kJ/mol	Relay (1.0) Calculated Property
IE	[9.00; 9.24]	eV
IE	9.00	eV	NIST
IE	9.24 ± 0.04	eV	NIST
logPoct/wat	1.965		Crippen Calculated Property
McVol	107.730	ml/mol	McGowan Calculated Property
Tboil	446.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[130.99; 416.39]	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			-1.02910e+02
Coefficient B			1.03380e+00
Coefficient C			-6.98700e-04
Coefficient D			1.84200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.99	J/mol×K	273.00	Calculated Property
Cp,gas	183.53	J/mol×K	353.78	Calculated Property
Cp,gas	229.51	J/mol×K	434.56	Calculated Property
Cp,gas	269.50	J/mol×K	515.33	Calculated Property
Cp,gas	304.09	J/mol×K	596.11	Calculated Property
Cp,gas	333.86	J/mol×K	676.89	Calculated Property
Cp,gas	359.39	J/mol×K	757.67	Calculated Property
Cp,gas	381.27	J/mol×K	838.44	Calculated Property
Cp,gas	400.07	J/mol×K	919.22	Calculated Property
Cp,gas	416.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032638; 0.0004805]	Pa×s	[231.81; 458.11]	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			-9.60314e+00
Coefficient B			8.99020e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			231.81
Temperature range, max.			458.11
η	0.0032638	Pa×s	231.81	Calculated Property
η	0.0022330	Pa×s	256.95	Calculated Property
η	0.0016348	Pa×s	282.10	Calculated Property
η	0.0012595	Pa×s	307.24	Calculated Property
η	0.0010094	Pa×s	332.39	Calculated Property
η	0.0008345	Pa×s	357.53	Calculated Property
η	0.0007074	Pa×s	382.68	Calculated Property
η	0.0006120	Pa×s	407.82	Calculated Property
η	0.0005385	Pa×s	432.97	Calculated Property
η	0.0004805	Pa×s	458.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran, octahydro-, cis-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.