- InChI
- InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
- InChI Key
- USKZHEQYENVSMH-YDFGWWAZSA-N
- Formula
- C7H10
- SMILES
- C=CC=CC=CC
- Molecular Weight1
- 94.15
- CAS
- 17679-93-5
- Other Names
-
- All-trans-1,3,5-Heptatriene
- (E,E)-CH2=CHCH=CHCH=CHCH3
- trans,trans-1,3,5-Heptatriene
- (3E,5E)-1,3,5-Heptatriene
- (E,E)-1,3,5-heptatriene
- 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.
- 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 | 0.2214 | Relay (... Calculated Property | |
| ΔfG° | 256.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.84 | kJ/mol | Relay (... Calculated Property |
| IE | [7.96; 8.07] | eV |
|
| IE | 7.96 ± 0.02 | eV | NIST |
| IE | 8.07 | eV | NIST |
| log10WS | -2.86 | Relay (... Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | 781.00 | NIST | |
| I | 1005.00 | NIST | |
| Tboil | 373.23 | K | Relay (... Calculated Property |
| Tc | 548.68 | K | Relay (... Calculated Property |
| Tfus | 268.94 | K | Relay (... Calculated Property |
| Vc | 0.354 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.45; 209.10] | J/mol×K | [364.56; 550.14] |
|
| Cp,gas | 152.45 | J/mol×K | 364.56 | Joback Calculated Property |
| Cp,gas | 163.36 | J/mol×K | 395.49 | Joback Calculated Property |
| Cp,gas | 173.63 | J/mol×K | 426.42 | Joback Calculated Property |
| Cp,gas | 183.31 | J/mol×K | 457.35 | Joback Calculated Property |
| Cp,gas | 192.43 | J/mol×K | 488.28 | Joback Calculated Property |
| Cp,gas | 201.01 | J/mol×K | 519.21 | Joback Calculated Property |
| Cp,gas | 209.10 | J/mol×K | 550.14 | Joback Calculated Property |
| η | [0.0001546; 0.0034902] | Pa×s | [156.73; 364.56] |
|
| η | 0.0034902 | Pa×s | 156.73 | Joback Calculated Property |
| η | 0.0012974 | Pa×s | 191.37 | Joback Calculated Property |
| η | 0.0006532 | Pa×s | 226.01 | Joback Calculated Property |
| η | 0.0003947 | Pa×s | 260.64 | Joback Calculated Property |
| η | 0.0002684 | Pa×s | 295.28 | Joback Calculated Property |
| η | 0.0001979 | Pa×s | 329.92 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 364.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Heptatriene, (E,E)-.
Sources
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