Chemical Properties of Anethole (CAS 104-46-1)

Anethole

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InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
InChI Key
RUVINXPYWBROJD-UHFFFAOYSA-N
Formula
C10H12O
SMILES
CC=Cc1ccc(OC)cc1
Molecular Weight1
148.20
CAS
104-46-1
Other Names
  • 1-(p-Methoxyphenyl)propene
  • 1-Methoxy-4-(1-propenyl)benzene
  • 1-Methoxy-4-propenylbenzene
  • 1-Propene, 1-(4-methoxyphenyl)-
  • 4-(1-Propenyl)anisole
  • 4-Methoxy-1-propenylbenzene
  • 4-Methoxypropenylbenzene
  • 4-Propenylanisole
  • Anethol
  • Anise camphor
  • Aniskampfer
  • Anisole, p-propenyl-
  • Benzene, 1-methoxy-4-(1-propen-1-yl)-
  • Benzene, 1-methoxy-4-(1-propenyl)-
  • Isoestragole
  • Methoxy-4-propenylbenzene
  • Monasirup
  • NSC 4018
  • Nauli "gum"
  • Nauli gum
  • Oil of aniseed
  • Propene, 1-(p-methoxyphenyl)-
  • p-(1-Propenyl)anisole
  • p-Anethole
  • p-Methoxy-«beta»-methylstyrene
  • p-Methoxy-«beta»-methylstyrene
  • p-Propenylanisole
  • p-Propenylphenyl methyl ether
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Physical Properties

Property Value Unit Source
Δcliquid -5544.55 kJ/mol NIST
Δf 111.32 kJ/mol Joback Calculated Property
Δfgas -39.67 kJ/mol Joback Calculated Property
Δfus 16.70 kJ/mol Joback Calculated Property
Δvap 61.90 kJ/mol NIST
log10WS -2.83 Crippen Calculated Property
logPoct/wat 2.728 Crippen Calculated Property
McVol 129.570 ml/mol McGowan Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Inp [1251.00; 1289.30]   Show Hide
Inp 1279.00 NIST
Inp 1289.30 NIST
Inp 1283.50 NIST
Inp 1264.00 NIST
Inp 1288.00 NIST
Inp 1257.00 NIST
Inp 1286.00 NIST
Inp 1269.00 NIST
Inp 1251.00 NIST
Inp 1283.00 NIST
Inp 1285.00 NIST
Inp 1257.00 NIST
Inp 1251.00 NIST
I [1808.00; 1847.00]   Show Hide
I 1834.00 NIST
I 1817.00 NIST
I 1819.00 NIST
I Outlier 1847.00 NIST
I 1809.00 NIST
I 1815.00 NIST
I 1808.00 NIST
I 1822.00 NIST
Tboil [506.00; 508.00] K Show Hide
Tboil 508.00 K NIST
Tboil 506.00 ± 4.00 K NIST
Tc 700.83 K Joback Calculated Property
Tfus 295.00 ± 0.50 K NIST
Vc 0.485 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [264.61; 336.94] J/mol×K [486.44; 700.83] Show Hide
Cp,gas 264.61 J/mol×K 486.44 Joback Calculated Property
Cp,gas 278.48 J/mol×K 522.17 Joback Calculated Property
Cp,gas 291.59 J/mol×K 557.90 Joback Calculated Property
Cp,gas 303.96 J/mol×K 593.63 Joback Calculated Property
Cp,gas 315.63 J/mol×K 629.36 Joback Calculated Property
Cp,gas 326.61 J/mol×K 665.09 Joback Calculated Property
Cp,gas 336.94 J/mol×K 700.83 Joback Calculated Property
η [0.0001575; 0.0017616] Pa×s [258.55; 486.44] Show Hide
η 0.0017616 Pa×s 258.55 Joback Calculated Property
η 0.0009103 Pa×s 296.53 Joback Calculated Property
η 0.0005465 Pa×s 334.51 Joback Calculated Property
η 0.0003641 Pa×s 372.50 Joback Calculated Property
η 0.0002615 Pa×s 410.48 Joback Calculated Property
η 0.0001986 Pa×s 448.46 Joback Calculated Property
η 0.0001575 Pa×s 486.44 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [5.51e-03; 2876.78] kPa [294.50; 723.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.42264e+01
Coefficient B-1.06388e+04
Coefficient C-1.11978e+01
Coefficient D4.15545e-06
Temperature range, min.294.50
Temperature range, max.723.00
Pvap 5.51e-03 kPa 294.50 Calculated Property
Pvap 0.18 kPa 342.11 Calculated Property
Pvap 2.14 kPa 389.72 Calculated Property
Pvap 13.53 kPa 437.33 Calculated Property
Pvap 55.60 kPa 484.94 Calculated Property
Pvap 169.38 kPa 532.56 Calculated Property
Pvap 416.89 kPa 580.17 Calculated Property
Pvap 879.51 kPa 627.78 Calculated Property
Pvap 1657.81 kPa 675.39 Calculated Property
Pvap 2876.78 kPa 723.00 Calculated Property

Similar Compounds

cis-Anethole. Anethole. 4-Methoxycinnamaldehyde. trans-4-Methoxycinnamaldehyde. 4-Methoxycinnamonitrile,c&t. trans-p-(1-Butenyl)-anisole. Isochavicol. Phenol, 4-(1-propenyl), (E). Phenol, 4-(1-propenyl). cis-Methyl isoeugenol. (E)-Methyl isoeugenol. Benzene, 1,2-dimethoxy-4-(1-propenyl)-. 1-Methoxy-4-(2-methylpropenyl)benzene. Benzene, 1-ethenyl-4-methoxy-. 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-.

Find more compounds similar to Anethole.

Sources

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