Chemical Properties of 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol (CAS 107534-93-0)

4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol

InChI
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3
InChI Key
QDDILOVMGWUNGD-UHFFFAOYSA-N
Formula
C20H24O4
SMILES
COc1cc(CC(C)C(C)Cc2ccc3c(c2)OCO3)ccc1O
Molecular Weight1
328.40
CAS
107534-93-0
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° 47.42 kJ/mol Joback Calculated Property
ΔvapH° 123.43 kJ/mol Relay (1.0) Calculated Property
IE 7.54 eV Relay (1.0) Calculated Property
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 4.187 Crippen Calculated Property
McVol 257.760 ml/mol McGowan Calculated Property
Inp [2687.70; 2687.70]   Show Hide
Inp 2687.70 NIST
Inp 2687.70 NIST
Tboil 670.25 K Relay (1.0) Calculated Property
Tfus 381.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [363.57; 859.09] 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-4.85280e+01
Coefficient B1.84216e+00
Coefficient C-1.32504e-03
Coefficient D3.90500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 363.57 J/mol×K 273.00 Calculated Property
Cp,gas 454.64 J/mol×K 353.78 Calculated Property
Cp,gas 533.82 J/mol×K 434.56 Calculated Property
Cp,gas 602.35 J/mol×K 515.33 Calculated Property
Cp,gas 661.47 J/mol×K 596.11 Calculated Property
Cp,gas 712.41 J/mol×K 676.89 Calculated Property
Cp,gas 756.41 J/mol×K 757.67 Calculated Property
Cp,gas 794.70 J/mol×K 838.44 Calculated Property
Cp,gas 828.52 J/mol×K 919.22 Calculated Property
Cp,gas 859.09 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0001032; 0.0000111] Pa×s [584.83; 791.39] 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-1.77327e+01
Coefficient B5.00280e+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.584.83
Temperature range, max.791.39
η 0.0001032 Pa×s 584.83 Calculated Property
η 0.0000747 Pa×s 607.78 Calculated Property
η 0.0000554 Pa×s 630.73 Calculated Property
η 0.0000419 Pa×s 653.68 Calculated Property
η 0.0000323 Pa×s 676.64 Calculated Property
η 0.0000254 Pa×s 699.59 Calculated Property
η 0.0000202 Pa×s 722.54 Calculated Property
η 0.0000163 Pa×s 745.49 Calculated Property
η 0.0000134 Pa×s 768.44 Calculated Property
η 0.0000111 Pa×s 791.39 Calculated Property

Similar Compounds

5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole). 4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol). (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol. 2,3-Divanillyl-1,4-butanediol. (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol. Nordihydroguaiaretic acid. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 2-Octanone, 8-(3,4-methylenedioxyphenyl). 2-Hexanone, 6-(3,4-methylenedioxyphenyl). Helional. (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol. (.+/-.)-BDB. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol.

Find more compounds similar to 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol.

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.