Chemical Properties of Nordihydroguaiaretic acid (CAS 500-38-9)

Nordihydroguaiaretic acid

InChI
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
InChI Key
HCZKYJDFEPMADG-UHFFFAOYSA-N
Formula
C18H22O4
SMILES
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Molecular Weight1
302.36
CAS
500-38-9
Other Names
  • 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-
  • 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane
  • 2,3-Bis(3,4-dihydroxyphenylmethyl)butane
  • 4,4'-(2,3-Dimethyl-1,4-Butanediyl)bis(pyrocatechol)
  • 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol
  • Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-
  • Dihydronorguaiaretic acid
  • Dinorguaiaretic acid, dihydro-
  • NDGA
  • NSC 4291
  • Nordihydroguairaretic acid
  • Norguaiaretic acid, dihydro-
  • Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-
  • «beta»,«gamma»-Dimethyl-«alpha»,«delta»-bis(3,4-dihydroxyphenyl)butane
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 -602.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.54 kJ/mol Joback Calculated Property
IE 7.91 eV Relay (1.0) Calculated Property
logPoct/wat 3.566 Crippen Calculated Property
McVol 240.440 ml/mol McGowan Calculated Property
Tboil 647.06 K Relay (1.0) Calculated Property
Tfus 422.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [339.74; 801.67] 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-1.20328e+02
Coefficient B2.18624e+00
Coefficient C-2.04964e-03
Coefficient D7.85400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 339.74 J/mol×K 273.00 Calculated Property
Cp,gas 431.36 J/mol×K 353.78 Calculated Property
Cp,gas 507.11 J/mol×K 434.56 Calculated Property
Cp,gas 569.48 J/mol×K 515.33 Calculated Property
Cp,gas 620.95 J/mol×K 596.11 Calculated Property
Cp,gas 663.99 J/mol×K 676.89 Calculated Property
Cp,gas 701.11 J/mol×K 757.67 Calculated Property
Cp,gas 734.77 J/mol×K 838.44 Calculated Property
Cp,gas 767.46 J/mol×K 919.22 Calculated Property
Cp,gas 801.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [5.9112579e-09; 8.1361164e-10] Pa×s [762.34; 870.18] 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-3.49483e+01
Coefficient B1.21989e+04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.762.34
Temperature range, max.870.18
η 5.9112579e-09 Pa×s 762.34 Calculated Property
η 4.6146319e-09 Pa×s 774.32 Calculated Property
η 3.6297098e-09 Pa×s 786.30 Calculated Property
η 2.8756553e-09 Pa×s 798.29 Calculated Property
η 2.2939977e-09 Pa×s 810.27 Calculated Property
η 1.8420846e-09 Pa×s 822.25 Calculated Property
η 1.4885498e-09 Pa×s 834.23 Calculated Property
η 1.2101468e-09 Pa×s 846.22 Calculated Property
η 9.8951849e-10 Pa×s 858.20 Calculated Property
η 8.1361164e-10 Pa×s 870.18 Calculated Property

Similar Compounds

4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol). 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol. 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole). 2,3-Divanillyl-1,4-butanediol. 4-(2-ethylhexyl)phenol. 4-(3,4-dihydroxyphenyl)-butan-2-one. Phenol, 4-[2,3-dimethyl-1-(1-methylethyl)butyl], diastereomer # 2. Phenol, 4-[2,3-dimethyl-1-(1-methylethyl)butyl], diastereomer # 1. 3-Tridecylphenol. Phenol, 3-pentadecyl-. (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol. 4-(4-hydroxy-3-methoxyphenyl)-1-butanol. 3-Butylphenol. Phenol, 4-(1-propyl-2,3-dimethylbutyl). (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Find more compounds similar to Nordihydroguaiaretic acid.

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.