- InChI
- InChI=1S/C14H16O2/c1-4-6-12-7-9-13(10-8-12)16-14(15)11(3)5-2/h4-10H,1-3H3/b6-4+,11-5+
- InChI Key
- UCQRFKUYPJOHMR-KGUOMNFLSA-N
- Formula
- C14H16O2
- SMILES
- CC=Cc1ccc(OC(=O)C(C)=CC)cc1
- Molecular Weight1
- 216.28
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5582 | Relay (1.0) Calculated Property | |
| ΔfG° | 87.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.591 | Crippen Calculated Property | |
| McVol | 183.200 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| I | [2406.00; 2406.00] |
|
|
| I | 2406.00 | NIST | |
| I | 2406.00 | NIST | |
| I | 2406.00 | NIST | |
| Tboil | 558.34 | K | Relay (1.0) Calculated Property |
| Tc | 782.74 | K | Relay (1.0) Calculated Property |
| Tfus | 337.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.35; 529.64] | J/mol×K | [635.87; 857.03] |
|
| Cp,gas | 451.35 | J/mol×K | 635.87 | Joback Calculated Property |
| Cp,gas | 466.66 | J/mol×K | 672.73 | Joback Calculated Property |
| Cp,gas | 481.00 | J/mol×K | 709.59 | Joback Calculated Property |
| Cp,gas | 494.40 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 506.94 | J/mol×K | 783.31 | Joback Calculated Property |
| Cp,gas | 518.67 | J/mol×K | 820.17 | Joback Calculated Property |
| Cp,gas | 529.64 | J/mol×K | 857.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(1-Propenyl)-phenyl tiglate.
Sources
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