Chemical Properties of (3-Iodophenyl) methanol, ethyl ether

InChI

InChI=1S/C9H11IO/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7H2,1H3

InChI Key

OSYGCJIBBWLFOG-UHFFFAOYSA-N

Formula

C9H11IO

SMILES

CCOCc1cccc(I)c1

Molecular Weight¹

262.09

• 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).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-49.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	65.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	2.828		Crippen Calculated Property
McVol	145.600	ml/mol	McGowan Calculated Property
Inp	[1458.00; 1458.00]
Inp	1458.00		NIST
Inp	1458.00		NIST
Tboil	528.21	K	Relay (1.0) Calculated Property
Tfus	232.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[174.18; 389.75]	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			1.22920e+01
Coefficient B			6.96220e-01
Coefficient C			-4.00360e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.18	J/mol×K	273.00	Calculated Property
Cp,gas	212.10	J/mol×K	353.78	Calculated Property
Cp,gas	245.93	J/mol×K	434.56	Calculated Property
Cp,gas	275.92	J/mol×K	515.33	Calculated Property
Cp,gas	302.33	J/mol×K	596.11	Calculated Property
Cp,gas	325.43	J/mol×K	676.89	Calculated Property
Cp,gas	345.46	J/mol×K	757.67	Calculated Property
Cp,gas	362.68	J/mol×K	838.44	Calculated Property
Cp,gas	377.36	J/mol×K	919.22	Calculated Property
Cp,gas	389.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021690; 0.0002185]	Pa×s	[310.42; 554.83]	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			-1.13443e+01
Coefficient B			1.61755e+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.			310.42
Temperature range, max.			554.83
η	0.0021690	Pa×s	310.42	Calculated Property
η	0.0014263	Pa×s	337.58	Calculated Property
η	0.0009983	Pa×s	364.73	Calculated Property
η	0.0007342	Pa×s	391.89	Calculated Property
η	0.0005619	Pa×s	419.05	Calculated Property
η	0.0004442	Pa×s	446.20	Calculated Property
η	0.0003608	Pa×s	473.36	Calculated Property
η	0.0002998	Pa×s	500.51	Calculated Property
η	0.0002538	Pa×s	527.67	Calculated Property
η	0.0002185	Pa×s	554.83	Calculated Property

Similar Compounds

Find more compounds similar to (3-Iodophenyl) methanol, ethyl 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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