- InChI
- InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
- InChI Key
- GZTNBKQTTZSQNS-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CCCC#CCCC
- Molecular Weight1
- 110.20
- CAS
- 1942-45-6
- Other Names
-
- 1,2-dipropylacetylene
- dipropylacetylene
- n-C3H7C«equiv»CC3H7
- oct-4-yne
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.2746 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 60.10 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.70; 42.76] | kJ/mol |
|
| ΔvapH° | 42.76 | kJ/mol | NIST |
| ΔvapH° | 42.70 ± 0.10 | kJ/mol | NIST |
| IE | [9.20; 9.20] | eV |
|
| IE | 9.20 ± 0.01 | eV | NIST |
| IE | 9.20 ± 0.02 | eV | NIST |
| IE | 9.20 ± 0.01 | eV | NIST |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.590 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | [809.00; 841.00] |
|
|
| Inp | 812.50 | NIST | |
| Inp | 812.51 | NIST | |
| Inp | 812.59 | NIST | |
| Inp | 809.90 | NIST | |
| Inp | 810.60 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 813.60 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | Outlier 841.00 | NIST | |
| Inp | Outlier 841.00 | NIST | |
| I | [998.00; 1011.60] |
|
|
| I | 998.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 999.00 | NIST | |
| I | 1011.60 | NIST | |
| Tboil | [404.00; 406.00] | K |
|
| Tboil | 404.50 ± 0.50 | K | NIST |
| Tboil | 404.70 | K | NIST |
| Tboil | 404.70 | K | NIST |
| Tboil | 404.56 ± 0.60 | K | NIST |
| Tboil | Outlier 406.00 ± 2.00 | K | NIST |
| Tboil | Outlier 406.00 ± 2.00 | K | NIST |
| Tboil | 404.67 ± 0.60 | K | NIST |
| Tboil | 404.80 ± 0.40 | K | NIST |
| Tboil | 404.72 ± 0.20 | K | NIST |
| Tboil | 404.64 ± 0.60 | K | NIST |
| Tboil | 404.64 ± 0.20 | K | NIST |
| Tboil | 404.70 ± 0.40 | K | NIST |
| Tboil | 404.00 ± 1.00 | K | NIST |
| Tc | 576.31 | K | Relay (1.0) Calculated Property |
| Tfus | [165.74; 171.15] | K |
|
| Tfus | Outlier 165.74 ± 2.00 | K | NIST |
| Tfus | 170.60 ± 0.20 | K | NIST |
| Tfus | 170.30 ± 0.60 | K | NIST |
| Tfus | 170.59 ± 0.20 | K | NIST |
| Tfus | 170.30 ± 0.60 | K | NIST |
| Tfus | 171.00 ± 2.00 | K | NIST |
| Tfus | 171.15 ± 1.50 | K | NIST |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.39; 273.81] | J/mol×K | [391.44; 578.71] |
|
| Cp,gas | 208.39 | J/mol×K | 391.44 | Joback Calculated Property |
| Cp,gas | 220.42 | J/mol×K | 422.65 | Joback Calculated Property |
| Cp,gas | 231.99 | J/mol×K | 453.86 | Joback Calculated Property |
| Cp,gas | 243.10 | J/mol×K | 485.07 | Joback Calculated Property |
| Cp,gas | 253.76 | J/mol×K | 516.28 | Joback Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 547.49 | Joback Calculated Property |
| Cp,gas | 273.81 | J/mol×K | 578.71 | Joback Calculated Property |
| ΔvapH | [36.00; 39.60] | kJ/mol | [383.50; 404.70] |
|
| ΔvapH | 39.60 | kJ/mol | 383.50 | NIST |
| ΔvapH | 36.00 | kJ/mol | 404.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [297.49; 431.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40802e+01 | |||
| Coefficient B | -3.23216e+03 | |||
| Coefficient C | -6.31490e+01 | |||
| Temperature range, min. | 297.49 | |||
| Temperature range, max. | 431.75 | |||
| Pvap | 1.33 | kPa | 297.49 | Calculated Property |
| Pvap | 3.04 | kPa | 312.41 | Calculated Property |
| Pvap | 6.33 | kPa | 327.33 | Calculated Property |
| Pvap | 12.17 | kPa | 342.24 | Calculated Property |
| Pvap | 21.91 | kPa | 357.16 | Calculated Property |
| Pvap | 37.25 | kPa | 372.08 | Calculated Property |
| Pvap | 60.32 | kPa | 387.00 | Calculated Property |
| Pvap | 93.61 | kPa | 401.91 | Calculated Property |
| Pvap | 139.99 | kPa | 416.83 | Calculated Property |
| Pvap | 202.64 | kPa | 431.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octyne.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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