- InChI
- InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3
- InChI Key
- LILZEAJBVQOINI-UHFFFAOYSA-N
- Formula
- C8H10
- SMILES
- CCC#CC#CCC
- Molecular Weight1
- 106.17
- CAS
- 16387-70-5
- Other Names
-
- Diethyldiacetylene
- 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).
- Pvap : Vapor 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° | 422.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 336.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.71 | kJ/mol | Joback Calculated Property |
| IE | [8.55; 8.82] | eV |
|
| IE | 8.55 | eV | NIST |
| IE | 8.78 | eV | NIST |
| IE | 8.82 | eV | NIST |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.813 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Inp | 972.00 | NIST | |
| Tboil | 437.00 ± 4.00 | K | NIST |
| Tc | 616.12 | K | Joback Calculated Property |
| Tfus | 392.12 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.91; 240.36] | J/mol×K | [400.44; 616.12] |
|
| Cp,gas | 182.91 | J/mol×K | 400.44 | Joback Calculated Property |
| Cp,gas | 193.56 | J/mol×K | 436.39 | Joback Calculated Property |
| Cp,gas | 203.76 | J/mol×K | 472.33 | Joback Calculated Property |
| Cp,gas | 213.53 | J/mol×K | 508.28 | Joback Calculated Property |
| Cp,gas | 222.88 | J/mol×K | 544.23 | Joback Calculated Property |
| Cp,gas | 231.82 | J/mol×K | 580.18 | Joback Calculated Property |
| Cp,gas | 240.36 | J/mol×K | 616.12 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [335.32; 460.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62366e+01 | |||
| Coefficient B | -4.35058e+03 | |||
| Coefficient C | -6.25390e+01 | |||
| Temperature range, min. | 335.32 | |||
| Temperature range, max. | 460.76 | |||
| Pvap | 1.33 | kPa | 335.32 | Calculated Property |
| Pvap | 2.89 | kPa | 349.26 | Calculated Property |
| Pvap | 5.85 | kPa | 363.20 | Calculated Property |
| Pvap | 11.10 | kPa | 377.13 | Calculated Property |
| Pvap | 19.97 | kPa | 391.07 | Calculated Property |
| Pvap | 34.23 | kPa | 405.01 | Calculated Property |
| Pvap | 56.25 | kPa | 418.95 | Calculated Property |
| Pvap | 89.05 | kPa | 432.88 | Calculated Property |
| Pvap | 136.36 | kPa | 446.82 | Calculated Property |
| Pvap | 202.66 | kPa | 460.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Octadiyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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