- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5544.55 | kJ/mol | NIST |
| ΔfG° | 111.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 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] |
|
|
| 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] |
|
|
| 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 |
|
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 500 600 700 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 300 350 400 450 | ||||
| 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...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.42264e+01 | |||
| Coefficient B | -1.06388e+04 | |||
| Coefficient C | -1.11978e+01 | |||
| Coefficient D | 4.15545e-06 | |||
| Temperature range, min. | 294.50 | |||
| Temperature range, max. | 723.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 400 600 | ||||
| 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
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.