- InChI
- InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24-2)22(18-19)25-3/h12-13,15,17-18H,4-11,14,16H2,1-3H3/b13-12+
- InChI Key
- KKRNHCNPKJGKDR-OUKQBFOZSA-N
- Formula
- C22H34O3
- SMILES
-
CCCCCCCCCC=CC(=O)CCc1ccc(OC)c(
OC)c1 - Molecular Weight1
- 346.50
- ω : Acentric Factor.
- 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).
- 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 | 0.9705 | Relay (... Calculated Property | |
| ΔfG° | -31.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -5.77 | Relay (... Calculated Property | |
| logPoct/wat | 5.902 | Crippen Calculated Property | |
| McVol | 306.090 | ml/mol | McGowan Calculated Property |
| Pc | 1150.65 | kPa | Joback Calculated Property |
| Inp | [2739.80; 2739.80] |
|
|
| Inp | 2739.80 | NIST | |
| Inp | 2739.80 | NIST | |
| Tboil | 635.98 | K | Relay (... Calculated Property |
| Tc | 857.65 | K | Relay (... Calculated Property |
| Tfus | 336.35 | K | Relay (... Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.27; 1040.71] | J/mol×K | [842.27; 1040.66] |
|
| Cp,gas | 950.27 | J/mol×K | 842.27 | Joback Calculated Property |
| Cp,gas | 967.99 | J/mol×K | 875.34 | Joback Calculated Property |
| Cp,gas | 984.61 | J/mol×K | 908.40 | Joback Calculated Property |
| Cp,gas | 1000.16 | J/mol×K | 941.47 | Joback Calculated Property |
| Cp,gas | 1014.67 | J/mol×K | 974.53 | Joback Calculated Property |
| Cp,gas | 1028.18 | J/mol×K | 1007.60 | Joback Calculated Property |
| Cp,gas | 1040.71 | J/mol×K | 1040.66 | Joback Calculated Property |
| η | [0.0000380; 0.0004675] | Pa×s | [478.47; 842.27] |
|
| η | 0.0004675 | Pa×s | 478.47 | Joback Calculated Property |
| η | 0.0002433 | Pa×s | 539.10 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 599.74 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 660.37 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 721.00 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 781.64 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 842.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(3,4-Dimethoxyphenyl)tetradec-4-en-3-one.
Sources
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