- InChI
- InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-11H2
- InChI Key
- PZWZXAPXSJTOOI-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- C#CCCCCCCCC#C
- Molecular Weight1
- 148.24
- CAS
- 4117-15-1
- 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).
- 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 | 0.4217 | Relay (1.0) Calculated Property | |
| ΔfG° | 487.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 207.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.984 | Crippen Calculated Property | |
| McVol | 148.650 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Tboil | 475.01 | K | Relay (1.0) Calculated Property |
| Tc | 673.75 | K | Relay (1.0) Calculated Property |
| Tfus | 278.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.47; 471.47] | 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 | 2.04470e+01 | |||
| Coefficient B | 8.61000e-01 | |||
| Coefficient C | -5.66460e-04 | |||
| Coefficient D | 1.56480e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 335.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 392.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 436.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 471.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [366.23; 522.93] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47036e+01 | |||
| Coefficient B | -4.22316e+03 | |||
| Coefficient C | -7.32790e+01 | |||
| Temperature range, min. | 366.23 | |||
| Temperature range, max. | 522.93 | |||
| Pvap | 1.33 | kPa | 366.23 | Calculated Property |
| Pvap | 2.99 | kPa | 383.64 | Calculated Property |
| Pvap | 6.17 | kPa | 401.05 | Calculated Property |
| Pvap | 11.81 | kPa | 418.46 | Calculated Property |
| Pvap | 21.26 | kPa | 435.87 | Calculated Property |
| Pvap | 36.24 | kPa | 453.29 | Calculated Property |
| Pvap | 58.98 | kPa | 470.70 | Calculated Property |
| Pvap | 92.12 | kPa | 488.11 | Calculated Property |
| Pvap | 138.83 | kPa | 505.52 | Calculated Property |
| Pvap | 202.66 | kPa | 522.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-undecadiyne.
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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