Chemical Properties of 1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl, # 1

1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl, # 1

InChI
InChI=1S/C11H14O3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
InChI Key
DTACWEXJFYOAKS-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
COc1ccc(C2OCC(C)O2)cc1
Molecular Weight1
194.23
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
ΔfusH° 30.05 kJ/mol Joback Calculated Property
logPoct/wat 2.129 Crippen Calculated Property
McVol 148.840 ml/mol McGowan Calculated Property
Inp [1508.00; 1508.00]   Show Hide
Inp 1508.00 NIST
Inp 1508.00 NIST
Ip [2231.00; 2231.00]   Show Hide
Ip 2231.00 NIST
Ip 2231.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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 [203.29; 512.76] 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-2.11200e+01
Coefficient B9.46440e-01
Coefficient C-4.71960e-04
Coefficient D5.94000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 203.29 J/mol×K 273.00 Calculated Property
Cp,gas 257.27 J/mol×K 353.78 Calculated Property
Cp,gas 305.91 J/mol×K 434.56 Calculated Property
Cp,gas 349.40 J/mol×K 515.33 Calculated Property
Cp,gas 387.94 J/mol×K 596.11 Calculated Property
Cp,gas 421.69 J/mol×K 676.89 Calculated Property
Cp,gas 450.87 J/mol×K 757.67 Calculated Property
Cp,gas 475.65 J/mol×K 838.44 Calculated Property
Cp,gas 496.21 J/mol×K 919.22 Calculated Property
Cp,gas 512.76 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0019113; 0.0002913] Pa×s [334.70; 559.43] 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-1.09430e+01
Coefficient B1.56740e+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.334.70
Temperature range, max.559.43
η 0.0019113 Pa×s 334.70 Calculated Property
η 0.0013808 Pa×s 359.67 Calculated Property
η 0.0010406 Pa×s 384.64 Calculated Property
η 0.0008117 Pa×s 409.61 Calculated Property
η 0.0006515 Pa×s 434.58 Calculated Property
η 0.0005355 Pa×s 459.55 Calculated Property
η 0.0004492 Pa×s 484.52 Calculated Property
η 0.0003833 Pa×s 509.49 Calculated Property
η 0.0003320 Pa×s 534.46 Calculated Property
η 0.0002913 Pa×s 559.43 Calculated Property

Similar Compounds

1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl-. 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol. 1,3-Dioxolane, 4-methyl-2-phenyl-. tolyaldehyde propylene glycol acetal. 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol. (2R,4R,5S)-2,4-bis(4-Methoxyphenyl)-5-methyl-1,3-dioxolane-rel-. 1,3-Dioxane, 4-methyl-2-phenyl-. (2R,3S,5S,6R)-2,5-bis(4-Methoxyphenyl)-3,6-dimethyl-1,4-dioxane-rel-. Etaconazole. difenoconazole-1. Difenoconazole. difenoconazole-2. Benzyl alcohol, rutinoside, TFA. Benzo[1,2-b:5,4-b']difuran-4,8-dione, 2,3-dihydro-5-methyl-2-(1-methylethenyl)-, (-)-. benzyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA.

Find more compounds similar to 1,3-Dioxolane, 2-(4-methoxyphenyl)-4-methyl, # 1.

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.