- InChI
- InChI=1S/C19H28O/c1-15(2)12-13-20-17-10-8-16(9-11-17)19(6,7)14-18(3,4)5/h8-13H,1,14H2,2-7H3/b13-12+
- InChI Key
- FTDKMGTYCVOHRR-OUKQBFOZSA-N
- Formula
- C19H28O
- SMILES
-
C=C(C)C=COc1ccc(C(C)(C)CC(C)(C
)C)cc1 - Molecular Weight1
- 272.43
- 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 | 0.5875 | Relay (... Calculated Property | |
| ΔfG° | 272.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.99 | kJ/mol | Relay (... Calculated Property |
| IE | 7.70 | eV | Relay (... Calculated Property |
| log10WS | -6.44 | Relay (... Calculated Property | |
| logPoct/wat | 5.869 | Crippen Calculated Property | |
| McVol | 252.080 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| I | [2546.00; 2546.00] |
|
|
| I | 2546.00 | NIST | |
| I | 2546.00 | NIST | |
| Tboil | 595.20 | K | Relay (... Calculated Property |
| Tc | 790.18 | K | Relay (... Calculated Property |
| Tfus | 339.26 | K | Relay (... Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.50; 802.83] | J/mol×K | [682.46; 898.12] |
|
| Cp,gas | 699.50 | J/mol×K | 682.46 | Joback Calculated Property |
| Cp,gas | 719.71 | J/mol×K | 718.40 | Joback Calculated Property |
| Cp,gas | 738.59 | J/mol×K | 754.35 | Joback Calculated Property |
| Cp,gas | 756.23 | J/mol×K | 790.29 | Joback Calculated Property |
| Cp,gas | 772.75 | J/mol×K | 826.23 | Joback Calculated Property |
| Cp,gas | 788.25 | J/mol×K | 862.18 | Joback Calculated Property |
| Cp,gas | 802.83 | J/mol×K | 898.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(1,1,3,3-Tetramethylbutyl)phenyl-3-methyl-1,3-butadienyl ether.
Sources
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