- InChI
- InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4,6,8-11H2,2H3
- InChI Key
- GRUGRJDWWGWGPL-UHFFFAOYSA-N
- Formula
- C11H18
- SMILES
- C=CC#CCCCCCCC
- Molecular Weight1
- 150.27
- CAS
- 74744-28-8
- 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 | 0.3797 | Relay (1.0) Calculated Property | |
| ΔfG° | 332.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.536 | Crippen Calculated Property | |
| McVol | 152.950 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Tboil | 440.84 | K | Relay (1.0) Calculated Property |
| Tc | 646.22 | K | Relay (1.0) Calculated Property |
| Tfus | 222.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.13; 497.20] | 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 | 7.45600e+00 | |||
| Coefficient B | 8.79020e-01 | |||
| Coefficient C | -5.05360e-04 | |||
| Coefficient D | 1.16080e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 457.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 478.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 497.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [359.32; 509.43] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48949e+01 | |||
| Coefficient B | -4.18290e+03 | |||
| Coefficient C | -7.29640e+01 | |||
| Temperature range, min. | 359.32 | |||
| Temperature range, max. | 509.43 | |||
| Pvap | 1.33 | kPa | 359.32 | Calculated Property |
| Pvap | 2.98 | kPa | 376.00 | Calculated Property |
| Pvap | 6.12 | kPa | 392.68 | Calculated Property |
| Pvap | 11.71 | kPa | 409.36 | Calculated Property |
| Pvap | 21.07 | kPa | 426.04 | Calculated Property |
| Pvap | 35.95 | kPa | 442.71 | Calculated Property |
| Pvap | 58.58 | kPa | 459.39 | Calculated Property |
| Pvap | 91.68 | kPa | 476.07 | Calculated Property |
| Pvap | 138.46 | kPa | 492.75 | Calculated Property |
| Pvap | 202.63 | kPa | 509.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecen-3-yne.
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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