Chemical Properties of 1,3-Benzodioxole, 5-propyl- (CAS 94-58-6)

1,3-Benzodioxole, 5-propyl-

InChI
InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
InChI Key
MYEIDJPOUKASEC-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCCc1ccc2c(c1)OCO2
Molecular Weight1
164.20
CAS
94-58-6
Other Names
  • 1-(3,4-Methylenedioxyphenyl)propane
  • 2',3'-Dihydrosafrole
  • 4-Propyl-1,2-(methylenedioxy)benzene
  • 5-Propyl-1,3-benzodioxole
  • Benzene, 1,2-(methylenedioxy)-4-propyl-
  • Dihydrosafrol
  • Dihydrosafrole
  • NSC 27867
  • Rcra waste number U090
  • Safrole, dihydro-
  • [1,2-(Methylenedioxy)-4-propyl]benzene
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
ω 0.5197 Relay (1.0) Calculated Property
ΔfusH° 27.94 kJ/mol Joback Calculated Property
ΔvapH° 60.93 kJ/mol Relay (1.0) Calculated Property
IE 7.98 eV Relay (1.0) Calculated Property
log10WS -3.69 Relay (1.0) Calculated Property
logPoct/wat 2.368 Crippen Calculated Property
McVol 128.880 ml/mol McGowan Calculated Property
Pc 3333.53 kPa Joback Calculated Property
I 1822.00 NIST
Tboil 500.58 K Relay (1.0) Calculated Property
Tc 740.63 K Relay (1.0) Calculated Property
Tfus 255.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [300.56; 370.41] J/mol×K [530.35; 751.65] Show Hide
Cp,gas 300.56 J/mol×K 530.35 Joback Calculated Property
Cp,gas 314.29 J/mol×K 567.23 Joback Calculated Property
Cp,gas 327.11 J/mol×K 604.12 Joback Calculated Property
Cp,gas 339.07 J/mol×K 641.00 Joback Calculated Property
Cp,gas 350.23 J/mol×K 677.88 Joback Calculated Property
Cp,gas 360.66 J/mol×K 714.76 Joback Calculated Property
Cp,gas 370.41 J/mol×K 751.65 Joback Calculated Property
η [0.0004477; 0.0021652] Pa×s [329.24; 530.35] Show Hide
η 0.0021652 Pa×s 329.24 Joback Calculated Property
η 0.0014747 Pa×s 362.76 Joback Calculated Property
η 0.0010718 Pa×s 396.28 Joback Calculated Property
η 0.0008187 Pa×s 429.80 Joback Calculated Property
η 0.0006503 Pa×s 463.31 Joback Calculated Property
η 0.0005328 Pa×s 496.83 Joback Calculated Property
η 0.0004477 Pa×s 530.35 Joback Calculated Property

Similar Compounds

3-(Benzo[d][1,3]dioxol-5-yl)propanal. 1,2-Dimethoxy-4-propylbenzene. 3-(3,4-Methylendioxyphenyl)propionic acid. Phenol, 2-methoxy-4-propyl-. Helional. 4-(3,4-Methylenedioxyphenyl)-2-butanone. 5-propylguaiacol. 3,4-Methylenedioxyphenyl acetone. Dihydro-eugenol acetate. 2-Octanone, 8-(3,4-methylenedioxyphenyl). 2-Hexanone, 6-(3,4-methylenedioxyphenyl). 3-(3,4-DIMETHOXYPHENYL)-1-PROPANOL. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one. 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole).

Find more compounds similar to 1,3-Benzodioxole, 5-propyl-.

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.