Chemical Properties of Benzenemethanol, 4-chloro-«alpha»-methyl- (CAS 3391-10-4)

InChI

InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

InChI Key

MVOSNPUNXINWAD-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

CC(O)c1ccc(Cl)cc1

Molecular Weight¹

156.61

CAS

3391-10-4

Other Names

• Benzyl alcohol, p-chloro-«alpha»-methyl-
• «alpha»-(p-Chlorophenyl)ethanol
• p-Chloro-«alpha»-methylbenzyl alcohol
• 1-(p-Chlorophenyl)ethanol
• 1-(4-Chlorophenyl)ethanol
• 1-p-Chlorophenylethyl alcohol
• 4-Chlorophenylmethylcarbinol
• 4-Chloro-alpha-methylbenzyl alcohol
• 4-chloro-«alpha»-methylbenzyl alcohol

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-193.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.89	kJ/mol	Joback Calculated Property
ΔvapH°	81.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	2.393		Crippen Calculated Property
McVol	117.930	ml/mol	McGowan Calculated Property
Pc	3872.29	kPa	Joback Calculated Property
Inp	[1226.30; 1226.30]
Inp	1226.30		NIST
Inp	1226.30		NIST
Tboil	488.54	K	Relay (1.0) Calculated Property
Tc	726.21	K	Relay (1.0) Calculated Property
Tfus	326.45	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.43; 298.69]	J/mol×K	[543.47; 751.51]
Cp,gas	247.43	J/mol×K	543.47	Joback Calculated Property
Cp,gas	257.40	J/mol×K	578.14	Joback Calculated Property
Cp,gas	266.76	J/mol×K	612.82	Joback Calculated Property
Cp,gas	275.54	J/mol×K	647.49	Joback Calculated Property
Cp,gas	283.78	J/mol×K	682.16	Joback Calculated Property
Cp,gas	291.48	J/mol×K	716.84	Joback Calculated Property
Cp,gas	298.69	J/mol×K	751.51	Joback Calculated Property
η	[0.0001160; 0.0118182]	Pa×s	[294.60; 543.47]
η	0.0118182	Pa×s	294.60	Joback Calculated Property
η	0.0033990	Pa×s	336.08	Joback Calculated Property
η	0.0012854	Pa×s	377.56	Joback Calculated Property
η	0.0005893	Pa×s	419.04	Joback Calculated Property
η	0.0003109	Pa×s	460.51	Joback Calculated Property
η	0.0001823	Pa×s	501.99	Joback Calculated Property
η	0.0001160	Pa×s	543.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 4-chloro-«alpha»-methyl-.

Sources

• Cheméo Relay (1.0)
• 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.