Chemical Properties of (3-Iodophenyl) methanol, n-pentyl ether

InChI

InChI=1S/C12H17IO/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9H,2-4,8,10H2,1H3

InChI Key

WHGFCKHBJHBBKC-UHFFFAOYSA-N

Formula

C12H17IO

SMILES

CCCCCOCc1cccc(I)c1

Molecular Weight¹

304.17

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[237.82; 544.53]	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			9.56500e+00
Coefficient B			9.81220e-01
Coefficient C			-5.63560e-04
Coefficient D			1.17300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.82	J/mol×K	273.00	Calculated Property
Cp,gas	291.36	J/mol×K	353.78	Calculated Property
Cp,gas	339.16	J/mol×K	434.56	Calculated Property
Cp,gas	381.61	J/mol×K	515.33	Calculated Property
Cp,gas	419.07	J/mol×K	596.11	Calculated Property
Cp,gas	451.91	J/mol×K	676.89	Calculated Property
Cp,gas	480.51	J/mol×K	757.67	Calculated Property
Cp,gas	505.23	J/mol×K	838.44	Calculated Property
Cp,gas	526.44	J/mol×K	919.22	Calculated Property
Cp,gas	544.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018870; 0.0001861]	Pa×s	[344.23; 593.13]	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			-1.17924e+01
Coefficient B			1.90003e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			344.23
Temperature range, max.			593.13
η	0.0018870	Pa×s	344.23	Calculated Property
η	0.0012517	Pa×s	371.89	Calculated Property
η	0.0008789	Pa×s	399.54	Calculated Property
η	0.0006460	Pa×s	427.20	Calculated Property
η	0.0004929	Pa×s	454.85	Calculated Property
η	0.0003880	Pa×s	482.51	Calculated Property
η	0.0003134	Pa×s	510.16	Calculated Property
η	0.0002588	Pa×s	537.82	Calculated Property
η	0.0002177	Pa×s	565.47	Calculated Property
η	0.0001861	Pa×s	593.13	Calculated Property

Similar Compounds

Find more compounds similar to (3-Iodophenyl) methanol, n-pentyl ether.

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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