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
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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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [795.70; 938.82] J/mol×K [986.40; 1243.12] Show Hide
Cp,gas 795.70 J/mol×K 986.40 Joback Calculated Property
Cp,gas 814.89 J/mol×K 1029.19 Joback Calculated Property
Cp,gas 835.45 J/mol×K 1071.97 Joback Calculated Property
Cp,gas 857.75 J/mol×K 1114.76 Joback Calculated Property
Cp,gas 882.17 J/mol×K 1157.54 Joback Calculated Property
Cp,gas 909.07 J/mol×K 1200.33 Joback Calculated Property
Cp,gas 938.82 J/mol×K 1243.12 Joback Calculated Property
η [1.5598897e-10; 5.9112580e-09] Pa×s [762.34; 986.40] Show Hide
η 5.9112580e-09 Pa×s 762.34 Joback Calculated Property
η 2.7999613e-09 Pa×s 799.68 Joback Calculated Property
η 1.4176900e-09 Pa×s 837.03 Joback Calculated Property
η 7.6077725e-10 Pa×s 874.37 Joback Calculated Property
η 4.2961398e-10 Pa×s 911.71 Joback Calculated Property
η 2.5376395e-10 Pa×s 949.06 Joback Calculated Property
η 1.5598897e-10 Pa×s 986.40 Joback 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

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