Chemical Properties of 6-Nitropiperonyl alcohol (CAS 15341-08-9)

6-Nitropiperonyl alcohol

InChI
InChI=1S/C8H7NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-2,10H,3-4H2
InChI Key
XSKQKDTZQNFCCB-UHFFFAOYSA-N
Formula
C8H7NO5
SMILES
O=[N+]([O-])c1cc2c(cc1CO)OCO2
Molecular Weight1
197.14
CAS
15341-08-9
Other Names
  • (6-nitro-1,3-benzodioxol-5-yl)methanol
  • 1,3-Benzodioxole-5-methanol, 6-nitro-
  • 6-Nitro-3,4-methylenedioxybenzyl alcohol
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Physical Properties

Property Value Unit Source
ω 0.7968 Relay (1.0) Calculated Property
ΔfG° -105.05 kJ/mol Joback Calculated Property
ΔfH°gas -364.27 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.82 kJ/mol Joback Calculated Property
ΔvapH° 93.21 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -3.06 Aq. Solubility Prediction
logPoct/wat 0.816 Crippen Calculated Property
McVol 123.990 ml/mol McGowan Calculated Property
Pc 4749.69 kPa Joback Calculated Property
Tboil 593.83 K Relay (1.0) Calculated Property
Tc 893.44 K Relay (1.0) Calculated Property
Tfus 379.55 K Relay (1.0) Calculated Property
Vc 0.468 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [335.90; 376.86] J/mol×K [733.39; 967.59] Show Hide
Cp,gas 335.90 J/mol×K 733.39 Joback Calculated Property
Cp,gas 343.99 J/mol×K 772.42 Joback Calculated Property
Cp,gas 351.50 J/mol×K 811.46 Joback Calculated Property
Cp,gas 358.47 J/mol×K 850.49 Joback Calculated Property
Cp,gas 364.98 J/mol×K 889.53 Joback Calculated Property
Cp,gas 371.09 J/mol×K 928.56 Joback Calculated Property
Cp,gas 376.86 J/mol×K 967.59 Joback Calculated Property

Similar Compounds

6-Nitroveratryl alcohol. 6-Nitropiperonal. 4,5-Dimethoxy-2-nitrotoluene. Cinchonidine. Cinchonine. 13-Tigloyloxylupanine. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. Carteolol, acetylated. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. Dihydromorphine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Methyldihydromorphine.

Find more compounds similar to 6-Nitropiperonyl alcohol.

Sources

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