Chemical Properties of O-Methoxy-.alpha.-methylbenzyl alcohol

O-Methoxy-.alpha.-methylbenzyl alcohol

InChI
InChI=1S/C9H12O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7,10H,1-2H3
InChI Key
DHHGVIOVURMJEA-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
COc1ccccc1C(C)O
Molecular Weight1
152.19
Other Names
  • 1-(O-Methoxyphenyl)ethanol
  • 2-methoxy-alpha-methylbenzyl alcohol
  • Benzenemethanol, 2-methoxy-«alpha»-methyl-
  • BENZENEMETHANOL, 2-METHOXY-.ALPHA.-METHYL-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -319.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.47 kJ/mol Joback Calculated Property
ΔvapH° 80.36 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -0.98 Relay (1.0) Calculated Property
logPoct/wat 1.748 Crippen Calculated Property
McVol 125.650 ml/mol McGowan Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Tboil 505.98 K Relay (1.0) Calculated Property
Tc 717.55 K Relay (1.0) Calculated Property
Tfus 330.10 K Relay (1.0) Calculated Property
Vc 0.452 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 398.20 K 2.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [169.29; 399.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.21000e+00
Coefficient B6.97140e-01
Coefficient C-3.52560e-04
Coefficient D5.10000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 169.29 J/mol×K 273.00 Calculated Property
Cp,gas 208.97 J/mol×K 353.78 Calculated Property
Cp,gas 244.76 J/mol×K 434.56 Calculated Property
Cp,gas 276.82 J/mol×K 515.33 Calculated Property
Cp,gas 305.30 J/mol×K 596.11 Calculated Property
Cp,gas 330.38 J/mol×K 676.89 Calculated Property
Cp,gas 352.20 J/mol×K 757.67 Calculated Property
Cp,gas 370.94 J/mol×K 838.44 Calculated Property
Cp,gas 386.75 J/mol×K 919.22 Calculated Property
Cp,gas 399.79 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0088416; 0.0001114] Pa×s [298.18; 524.92] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.48549e+01
Coefficient B3.01954e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.298.18
Temperature range, max.524.92
η 0.0088416 Pa×s 298.18 Calculated Property
η 0.0040171 Pa×s 323.37 Calculated Property
η 0.0020455 Pa×s 348.57 Calculated Property
η 0.0011408 Pa×s 373.76 Calculated Property
η 0.0006850 Pa×s 398.95 Calculated Property
η 0.0004369 Pa×s 424.14 Calculated Property
η 0.0002931 Pa×s 449.34 Calculated Property
η 0.0002052 Pa×s 474.53 Calculated Property
η 0.0001489 Pa×s 499.72 Calculated Property
η 0.0001114 Pa×s 524.92 Calculated Property

Similar Compounds

4-Chromanol. o-Isopropylanisole. Methoxamine. Pinchotene acetate. 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene. Propanoic acid, 3-hydroxy-3-(3-methoxyphenyl), methyl ester. Benzeneacetic acid, 2-methoxy-«alpha»-[(trimethylsilyl)oxy]-, trimethylsilyl ester. Formic acid, 2-isopropylphenyl ester. 2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester. o-Synephrine, TFA. 5,7-Dihydroxy-2-(2-methoxyphenyl)-2,3-dihydro-4h-chromen-4-one. 2H-1-Benzopyran, 3,4-dihydro-2-phenyl-. Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl ester. o-Hydroxymandelic acid, TFA-ME. Tetrahydrodaidzein (cis or trans isomer), TMS.

Find more compounds similar to O-Methoxy-.alpha.-methylbenzyl alcohol.

Sources

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.