Chemical Properties of Benzenemethanol, 2-(methylamino)- (CAS 29055-08-1)

InChI

InChI=1S/C8H11NO/c1-9-8-5-3-2-4-7(8)6-10/h2-5,9-10H,6H2,1H3

InChI Key

ZWIBBLPQTVLYKW-UHFFFAOYSA-N

Formula

C8H11NO

SMILES

CNc1ccccc1CO

Molecular Weight¹

137.18

CAS

29055-08-1

Other Names

• Benzyl alcohol, o-(methylamino)-
• [2-(Methylamino)phenyl]methanol
• o-(Methylamino)benzyl alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-1.04		Relay (1.0) Calculated Property
logPoct/wat	1.221		Crippen Calculated Property
McVol	115.670	ml/mol	McGowan Calculated Property
Inp	[1323.00; 1323.00]
Inp	1323.00		NIST
Inp	1323.00		NIST
Ip	2476.00		NIST
Tboil	545.64	K	Relay (1.0) Calculated Property
Tfus	344.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[149.17; 366.05]	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			-1.99090e+01
Coefficient B			7.35620e-01
Coefficient C			-4.54560e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.17	J/mol×K	273.00	Calculated Property
Cp,gas	188.09	J/mol×K	353.78	Calculated Property
Cp,gas	222.53	J/mol×K	434.56	Calculated Property
Cp,gas	252.82	J/mol×K	515.33	Calculated Property
Cp,gas	279.30	J/mol×K	596.11	Calculated Property
Cp,gas	302.29	J/mol×K	676.89	Calculated Property
Cp,gas	322.13	J/mol×K	757.67	Calculated Property
Cp,gas	339.15	J/mol×K	838.44	Calculated Property
Cp,gas	353.68	J/mol×K	919.22	Calculated Property
Cp,gas	366.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 2-(methylamino)-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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