- InChI
- InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1H,4,6,8H2,2H3
- InChI Key
- ATBIPMKXEODDBH-UHFFFAOYSA-N
- Formula
- C8H10
- SMILES
- C#CC#CCCCC
- Molecular Weight1
- 106.17
- 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).
- 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° | 442.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 355.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.813 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Inp | [848.30; 848.30] |
|
|
| Inp | 848.30 | NIST | |
| Inp | 848.30 | NIST | |
| Tboil | 381.56 | K | Joback Calculated Property |
| Tc | 583.07 | K | Joback Calculated Property |
| Tfus | 332.99 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.04; 239.19] | J/mol×K | [381.56; 583.07] |
|
| Cp,gas | 184.04 | J/mol×K | 381.56 | Joback Calculated Property |
| Cp,gas | 194.38 | J/mol×K | 415.15 | Joback Calculated Property |
| Cp,gas | 204.23 | J/mol×K | 448.73 | Joback Calculated Property |
| Cp,gas | 213.62 | J/mol×K | 482.32 | Joback Calculated Property |
| Cp,gas | 222.57 | J/mol×K | 515.90 | Joback Calculated Property |
| Cp,gas | 231.08 | J/mol×K | 549.49 | Joback Calculated Property |
| Cp,gas | 239.19 | J/mol×K | 583.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Octadiyne.
Sources
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