- InChI
- InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
- InChI Key
- DSOJWVLXZNRKCS-UHFFFAOYSA-N
- Formula
- C8H10
- SMILES
- C#CCCCCC#C
- Molecular Weight1
- 106.17
- CAS
- 871-84-1
- Other Names
-
- octa-1,7-diyne
- 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).
- 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° | 462.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 375.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.12 | 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 | 3501.28 | kPa | Joback Calculated Property |
| Inp | 769.20 | NIST | |
| Tboil | [408.50; 409.00] | K |
|
| Tboil | 408.50 ± 0.50 | K | NIST |
| Tboil | 408.70 | K | NIST |
| Tboil | 409.00 ± 4.00 | K | NIST |
| Tc | 550.52 | K | Joback Calculated Property |
| Tfus | 273.86 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.80; 238.21] | J/mol×K | [362.68; 550.52] |
|
| Cp,gas | 184.80 | J/mol×K | 362.68 | Joback Calculated Property |
| Cp,gas | 194.90 | J/mol×K | 393.99 | Joback Calculated Property |
| Cp,gas | 204.49 | J/mol×K | 425.29 | Joback Calculated Property |
| Cp,gas | 213.60 | J/mol×K | 456.60 | Joback Calculated Property |
| Cp,gas | 222.24 | J/mol×K | 487.90 | Joback Calculated Property |
| Cp,gas | 230.43 | J/mol×K | 519.21 | Joback Calculated Property |
| Cp,gas | 238.21 | J/mol×K | 550.52 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.58; 202.63] | kPa | [300.15; 430.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63158e+01 | |||
| Coefficient B | -4.13793e+03 | |||
| Coefficient C | -5.47550e+01 | |||
| Temperature range, min. | 300.15 | |||
| Temperature range, max. | 430.78 | |||
| Pvap | 0.58 | kPa | 300.15 | Calculated Property |
| Pvap | 1.48 | kPa | 314.66 | Calculated Property |
| Pvap | 3.45 | kPa | 329.18 | Calculated Property |
| Pvap | 7.35 | kPa | 343.69 | Calculated Property |
| Pvap | 14.58 | kPa | 358.21 | Calculated Property |
| Pvap | 27.17 | kPa | 372.72 | Calculated Property |
| Pvap | 47.95 | kPa | 387.24 | Calculated Property |
| Pvap | 80.71 | kPa | 401.75 | Calculated Property |
| Pvap | 130.27 | kPa | 416.27 | Calculated Property |
| Pvap | 202.63 | kPa | 430.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Octadiyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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