Chemical Properties of Benzenemethanol, «alpha»-(trichloromethyl)-, acetate (CAS 90-17-5)

InChI

InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3

InChI Key

JKRWZLOCPLZZEI-UHFFFAOYSA-N

Formula

C10H9Cl3O2

SMILES

CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl

Molecular Weight¹

267.54

CAS

90-17-5

Other Names

• Rosacetol
• «alpha»-(Trichloromethyl)benzyl acetate
• Acetic acid, «alpha»-(trichloromethyl)benzyl ester
• Benzyl alcohol, «alpha»-(trichloromethyl)-, acetate
• Rose crystals
• Trichlor phenyl methyl carbinyl acetate
• Trichloromethylphenylcarbinyl acetate
• Rose ester
• Rosephenone
• 2,2,2-Trichloro-1-phenylethyl acetate
• Benzenemethanol, «alpha»-(trichloromethyl)-, 1-acetate
• 2-Acetoxy-1,1,1-trichloro-2-phenylethane
• Crystal rose
• Rosetone
• Rosone
• NSC 165582
• Rose acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• I : 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
ΔfG°	-123.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.25	kJ/mol	Joback Calculated Property
ΔfusH°	20.14	kJ/mol	Joback Calculated Property
ΔvapH°	60.76	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	3.661		Crippen Calculated Property
McVol	172.160	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1522.00; 1541.30]
Inp	1541.30		NIST
Inp	1522.00		NIST
Inp	1538.00		NIST
Inp	1538.00		NIST
I	[2172.00; 2222.00]
I	2222.00		NIST
I	2172.00		NIST
I	2172.00		NIST
Tboil	639.79	K	Joback Calculated Property
Tc	882.99	K	Joback Calculated Property
Tfus	378.22	K	Joback Calculated Property
Vc	0.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.66; 434.21]	J/mol×K	[639.79; 882.99]
Cp,gas	378.66	J/mol×K	639.79	Joback Calculated Property
Cp,gas	390.28	J/mol×K	680.32	Joback Calculated Property
Cp,gas	400.87	J/mol×K	720.86	Joback Calculated Property
Cp,gas	410.49	J/mol×K	761.39	Joback Calculated Property
Cp,gas	419.21	J/mol×K	801.92	Joback Calculated Property
Cp,gas	427.09	J/mol×K	842.46	Joback Calculated Property
Cp,gas	434.21	J/mol×K	882.99	Joback Calculated Property
η	[0.0001522; 0.0021411]	Pa×s	[378.22; 639.79]
η	0.0021411	Pa×s	378.22	Joback Calculated Property
η	0.0010974	Pa×s	421.81	Joback Calculated Property
η	0.0006375	Pa×s	465.41	Joback Calculated Property
η	0.0004064	Pa×s	509.00	Joback Calculated Property
η	0.0002782	Pa×s	552.60	Joback Calculated Property
η	0.0002013	Pa×s	596.19	Joback Calculated Property
η	0.0001522	Pa×s	639.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-(trichloromethyl)-, acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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