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

InChI

InChI=1S/C10H13IO/c1-2-6-12-8-9-4-3-5-10(11)7-9/h3-5,7H,2,6,8H2,1H3

InChI Key

XDCWMGLXKFLLQN-UHFFFAOYSA-N

Formula

C10H13IO

SMILES

CCCOCc1cccc(I)c1

Molecular Weight¹

276.12

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.90	kJ/mol	Joback Calculated Property
logPoct/wat	3.218		Crippen Calculated Property
McVol	159.690	ml/mol	McGowan Calculated Property
Inp	[1553.00; 1553.00]
Inp	1553.00		NIST
Inp	1553.00		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	[195.40; 441.34]	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			1.13830e+01
Coefficient B			7.91220e-01
Coefficient C			-4.54760e-04
Coefficient D			9.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.40	J/mol×K	273.00	Calculated Property
Cp,gas	238.52	J/mol×K	353.78	Calculated Property
Cp,gas	277.01	J/mol×K	434.56	Calculated Property
Cp,gas	311.15	J/mol×K	515.33	Calculated Property
Cp,gas	341.25	J/mol×K	596.11	Calculated Property
Cp,gas	367.59	J/mol×K	676.89	Calculated Property
Cp,gas	390.47	J/mol×K	757.67	Calculated Property
Cp,gas	410.20	J/mol×K	838.44	Calculated Property
Cp,gas	427.05	J/mol×K	919.22	Calculated Property
Cp,gas	441.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020909; 0.0002087]	Pa×s	[321.69; 567.45]	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			-1.14912e+01
Coefficient B			1.71171e+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.			321.69
Temperature range, max.			567.45
η	0.0020909	Pa×s	321.69	Calculated Property
η	0.0013788	Pa×s	349.00	Calculated Property
η	0.0009659	Pa×s	376.30	Calculated Property
η	0.0007100	Pa×s	403.61	Calculated Property
η	0.0005427	Pa×s	430.92	Calculated Property
η	0.0004283	Pa×s	458.23	Calculated Property
η	0.0003472	Pa×s	485.53	Calculated Property
η	0.0002877	Pa×s	512.84	Calculated Property
η	0.0002431	Pa×s	540.15	Calculated Property
η	0.0002087	Pa×s	567.45	Calculated Property

Similar Compounds

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