Chemical Properties of 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS 68527-74-2)

2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

InChI
InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
InChI Key
RFGCVZIIIHRESZ-UHFFFAOYSA-N
Formula
C11H14O4
SMILES
COc1cc(C2OCC(C)O2)ccc1O
Molecular Weight1
210.23
CAS
68527-74-2
Other Names
  • Vanillin 1,2-propylene glycol acetal
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 -573.10 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.83 kJ/mol Joback Calculated Property
ΔvapH° 84.50 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.835 Crippen Calculated Property
McVol 154.710 ml/mol McGowan Calculated Property
Inp [1685.60; 1685.60]   Show Hide
Inp 1685.60 NIST
Inp 1685.60 NIST
Tboil 558.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [220.18; 535.18] 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 A-3.00400e+01
Coefficient B1.10104e+00
Coefficient C-7.28320e-04
Coefficient D1.92500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 220.18 J/mol×K 273.00 Calculated Property
Cp,gas 276.85 J/mol×K 353.78 Calculated Property
Cp,gas 326.68 J/mol×K 434.56 Calculated Property
Cp,gas 370.29 J/mol×K 515.33 Calculated Property
Cp,gas 408.27 J/mol×K 596.11 Calculated Property
Cp,gas 441.24 J/mol×K 676.89 Calculated Property
Cp,gas 469.81 J/mol×K 757.67 Calculated Property
Cp,gas 494.58 J/mol×K 838.44 Calculated Property
Cp,gas 516.17 J/mol×K 919.22 Calculated Property
Cp,gas 535.18 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0005967; 0.0000450] Pa×s [446.42; 622.44] 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-1.65638e+01
Coefficient B4.08018e+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.446.42
Temperature range, max.622.44
η 0.0005967 Pa×s 446.42 Calculated Property
η 0.0004066 Pa×s 465.98 Calculated Property
η 0.0002858 Pa×s 485.54 Calculated Property
η 0.0002064 Pa×s 505.09 Calculated Property
η 0.0001527 Pa×s 524.65 Calculated Property
η 0.0001155 Pa×s 544.21 Calculated Property
η 0.0000890 Pa×s 563.77 Calculated Property
η 0.0000699 Pa×s 583.33 Calculated Property
η 0.0000557 Pa×s 602.88 Calculated Property
η 0.0000450 Pa×s 622.44 Calculated Property

Similar Compounds

4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol. 1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl-. 1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl, # 1. tolyaldehyde propylene glycol acetal. (2R,4R,5S)-2,4-bis(4-Methoxyphenyl)-5-methyl-1,3-dioxolane-rel-. Mifepristone. 12-O-Methylcarnosol. N-Acetylnornarcotine. ketoconazole. Tetrabenazine M (desmethyl-HO-), monoacetylated. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. risperidone.

Find more compounds similar to 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.