Chemical Properties of Apiol (CAS 523-80-8)

Apiol

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InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChI Key
QQRSPHJOOXUALR-UHFFFAOYSA-N
Formula
C12H14O4
SMILES
C=CCc1cc(OC)c2c(c1OC)OCO2
Molecular Weight1
222.24
CAS
523-80-8
Other Names
  • 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-
  • Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-
  • Apiole
  • Apioline
  • Parsley apiole
  • Parsley camphor
  • 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene
  • 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole
  • 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-
  • NSC 9070
  • 5-allyl-4,7-dimethoxy-1,3-benzodioxole
  • 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-benzodioxole (apiol)
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Physical Properties

Property Value Unit Source
Δf -101.89 kJ/mol Joback Calculated Property
Δfgas -410.23 kJ/mol Joback Calculated Property
Δfus 33.44 kJ/mol Joback Calculated Property
Δvap 60.62 kJ/mol Joback Calculated Property
log10WS -3.00 Crippen Calculated Property
logPoct/wat 2.161 Crippen Calculated Property
McVol 164.500 ml/mol McGowan Calculated Property
Pc 2640.67 kPa Joback Calculated Property
Inp [1642.00; 1696.00]   Show Hide
Inp 1674.00 NIST
Inp 1685.00 NIST
Inp 1682.00 NIST
Inp 1682.00 NIST
Inp 1681.00 NIST
Inp 1691.00 NIST
Inp 1687.00 NIST
Inp 1682.00 NIST
Inp 1682.00 NIST
Inp 1681.00 NIST
Inp Outlier 1651.00 NIST
Inp 1689.00 NIST
Inp 1676.00 NIST
Inp Outlier 1645.00 NIST
Inp Outlier 1642.00 NIST
Inp 1687.00 NIST
Inp 1675.00 NIST
Inp 1682.00 NIST
Inp 1696.00 NIST
Inp 1682.00 NIST
Inp 1671.00 NIST
Inp 1676.00 NIST
Inp 1679.00 NIST
Inp 1682.00 NIST
Inp 1682.00 NIST
Inp 1681.00 NIST
Inp 1691.00 NIST
Inp Outlier 1651.00 NIST
Inp 1687.00 NIST
Inp 1679.00 NIST
I [2431.00; 2460.00]   Show Hide
I 2431.00 NIST
I 2460.00 NIST
I 2431.00 NIST
Tboil 627.39 K Joback Calculated Property
Tc 842.34 K Joback Calculated Property
Tfus 302.40 ± 0.05 K NIST
Vc 0.617 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [421.38; 491.71] J/mol×K [627.39; 842.34] Show Hide
Cp,gas 421.38 J/mol×K 627.39 Joback Calculated Property
Cp,gas 434.89 J/mol×K 663.21 Joback Calculated Property
Cp,gas 447.67 J/mol×K 699.04 Joback Calculated Property
Cp,gas 459.71 J/mol×K 734.86 Joback Calculated Property
Cp,gas 471.05 J/mol×K 770.69 Joback Calculated Property
Cp,gas 481.71 J/mol×K 806.51 Joback Calculated Property
Cp,gas 491.71 J/mol×K 842.34 Joback Calculated Property
η [0.0002663; 0.0009674] Pa×s [419.52; 627.39] Show Hide
η 0.0009674 Pa×s 419.52 Joback Calculated Property
η 0.0007188 Pa×s 454.17 Joback Calculated Property
η 0.0005571 Pa×s 488.81 Joback Calculated Property
η 0.0004466 Pa×s 523.46 Joback Calculated Property
η 0.0003679 Pa×s 558.10 Joback Calculated Property
η 0.0003101 Pa×s 592.75 Joback Calculated Property
η 0.0002663 Pa×s 627.39 Joback Calculated Property
ΔvapH 70.60 kJ/mol 473.50 NIST

Similar Compounds

1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-. Benzene, 1,2,3,4-tetramethoxy-5-(2-propenyl)-. 4-Methoxysafrole. «gamma»-Asarone. 1-(Prop-2-enyloxy)-2-(prop-2-enyl)-4,5-methylenedioxybenzene. 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-. 1-Hydroxy-2-(prop-2-enyl)-4,5-methylenedioxybenzene. nothoapiole. Phenol, 2-methoxy-3-(2-propenyl)-. Acetyl eugenol. Osmorhizol. 3,4-Methylenedioxy-2-methoxyamphetamine. Safrole. Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-benzo[1,3]dioxol-5-yl-propan-1-ol, TMS.

Find more compounds similar to Apiol.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.