- InChI
- InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5+
- InChI Key
- DYQVQSUVEDCHDD-FNORWQNLSA-N
- Formula
- C8H8
- SMILES
- C=CC#CC=CC=C
- Molecular Weight1
- 104.15
- CAS
- 16607-77-5
- Other Names
-
- 1,5,7-Octatriene-3-yene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 475.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 431.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 1.918 | Crippen Calculated Property | |
| McVol | 102.080 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [822.00; 828.00] |
|
|
| Inp | 828.00 | NIST | |
| Inp | 822.00 | NIST | |
| Tboil | 388.96 | K | Joback Calculated Property |
| Tc | 595.33 | K | Joback Calculated Property |
| Tfus | 277.42 | K | Joback Calculated Property |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.69; 218.19] | J/mol×K | [388.96; 595.33] |
|
| Cp,gas | 164.69 | J/mol×K | 388.96 | Joback Calculated Property |
| Cp,gas | 175.05 | J/mol×K | 423.36 | Joback Calculated Property |
| Cp,gas | 184.79 | J/mol×K | 457.75 | Joback Calculated Property |
| Cp,gas | 193.93 | J/mol×K | 492.15 | Joback Calculated Property |
| Cp,gas | 202.52 | J/mol×K | 526.54 | Joback Calculated Property |
| Cp,gas | 210.60 | J/mol×K | 560.94 | Joback Calculated Property |
| Cp,gas | 218.19 | J/mol×K | 595.33 | Joback Calculated Property |
| ΔvapH | 35.10 | kJ/mol | 371.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3,7-Octatrien-5-yne.
Sources
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