- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2932 | Relay (1.0) Calculated Property | |
| ΔfG° | 462.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 282.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) 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 | 606.43 | K | Relay (1.0) Calculated Property |
| Tfus | 243.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.82; 316.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.31740e+01 | |||
| Coefficient B | 5.76000e-01 | |||
| Coefficient C | -4.03260e-04 | |||
| Coefficient D | 1.20780e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 280.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 293.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 305.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 316.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.58; 202.63] | kPa | [300.15; 430.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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