- InChI
- InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4+
- InChI Key
- JGELFJUQMIUNOO-SNAWJCMRSA-N
- Formula
- C14H18O
- SMILES
- CC=Cc1ccc(OCC=C(C)C)cc1
- Molecular Weight1
- 202.29
- CAS
- 78259-41-3
- Other Names
-
- Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-
- foeniculin
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4921 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.065 | Crippen Calculated Property | |
| McVol | 181.630 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 558.95 | K | Relay (1.0) Calculated Property |
| Tc | 752.37 | K | Relay (1.0) Calculated Property |
| Tfus | 314.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.47; 518.72] | J/mol×K | [582.00; 796.02] |
|
| Cp,gas | 431.47 | J/mol×K | 582.00 | Joback Calculated Property |
| Cp,gas | 448.34 | J/mol×K | 617.67 | Joback Calculated Property |
| Cp,gas | 464.21 | J/mol×K | 653.34 | Joback Calculated Property |
| Cp,gas | 479.13 | J/mol×K | 689.01 | Joback Calculated Property |
| Cp,gas | 493.15 | J/mol×K | 724.68 | Joback Calculated Property |
| Cp,gas | 506.33 | J/mol×K | 760.35 | Joback Calculated Property |
| Cp,gas | 518.72 | J/mol×K | 796.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene.
Sources
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