- InChI
- InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3
- InChI Key
- CUUQUEAUUPYEKK-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C#CC(O)C(CC)CCCC
- Molecular Weight1
- 154.25
- CAS
- 5877-42-9
- Other Names
-
- 4-Ethyl-1-octyn-3-ol
- 4-ethyloct-1-yn-3-ol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5520 | Relay (... Calculated Property | |
| ΔfG° | 114.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.87 | eV | Relay (... Calculated Property |
| log10WS | -2.44 | Relay (... Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Tboil | 471.05 | K | Relay (... Calculated Property |
| Tc | 654.76 | K | Relay (... Calculated Property |
| Tfus | 286.23 | K | Relay (... Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.35; 413.41] | J/mol×K | [509.62; 683.63] | 
|
| Cp,gas | 345.35 | J/mol×K | 509.62 | Joback Calculated Property |
| Cp,gas | 358.04 | J/mol×K | 538.62 | Joback Calculated Property |
| Cp,gas | 370.16 | J/mol×K | 567.62 | Joback Calculated Property |
| Cp,gas | 381.74 | J/mol×K | 596.62 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 625.63 | Joback Calculated Property |
| Cp,gas | 403.34 | J/mol×K | 654.63 | Joback Calculated Property |
| Cp,gas | 413.41 | J/mol×K | 683.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [364.00; 404.00] | K | [1.30; 7.90] |
|
| Tboilr | 364.00 | K | 1.30 | NIST |
| Tboilr | 404.00 ± 1.00 | K | 7.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.30; 203.04] | kPa | [403.15; 548.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63622e+01 | |||
| Coefficient B | -5.10696e+03 | |||
| Coefficient C | -8.59310e+01 | |||
| Temperature range, min. | 403.15 | |||
| Temperature range, max. | 548.15 | |||
| Pvap | 1.30 | kPa | 403.15 | Calculated Property |
| Pvap | 2.83 | kPa | 419.26 | Calculated Property |
| Pvap | 5.74 | kPa | 435.37 | Calculated Property |
| Pvap | 10.93 | kPa | 451.48 | Calculated Property |
| Pvap | 19.71 | kPa | 467.59 | Calculated Property |
| Pvap | 33.90 | kPa | 483.71 | Calculated Property |
| Pvap | 55.87 | kPa | 499.82 | Calculated Property |
| Pvap | 88.71 | kPa | 515.93 | Calculated Property |
| Pvap | 136.23 | kPa | 532.04 | Calculated Property |
| Pvap | 203.04 | kPa | 548.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octyn-3-ol, 4-ethyl-.
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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