- InChI
- InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-
- InChI Key
- RUVINXPYWBROJD-ARJAWSKDSA-N
- Formula
- C10H12O
- SMILES
- CC=Cc1ccc(OC)cc1
- Molecular Weight1
- 148.20
- CAS
- 25679-28-1
- Other Names
-
- cis-Anethol
- (Z)-Anethole
- (Z)-Anethol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| 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° | 43.16 | kJ/mol | Joback Calculated Property |
| 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 | [1209.00; 1269.00] |
|
|
| Inp | 1262.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1256.70 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1256.70 | NIST | |
| I | [1732.00; 1800.00] |
|
|
| I | 1759.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1780.00 | NIST | |
| I | 1800.00 | NIST | |
| I | 1759.00 | NIST | |
| Tboil | 486.44 | K | Joback Calculated Property |
| Tc | 700.83 | K | Joback Calculated Property |
| Tfus | 258.55 | K | Joback Calculated Property |
| 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] |
|
| 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] |
|
| 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 |
| ΔvapH | 68.70 | kJ/mol | 348.00 | NIST |
Similar Compounds
Find more compounds similar to cis-Anethole.
Sources
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