- InChI
- InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
- InChI Key
- VUGRNZHKYVHZSN-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C#CC(O)CCCCC
- Molecular Weight1
- 126.20
- CAS
- 818-72-4
- Other Names
-
- 1-Octyne-3-ol
- oct-1-yne-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).
- 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 | 0.5498 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.561 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 446.27 | K | Relay (1.0) Calculated Property |
| Tc | 624.92 | K | Relay (1.0) Calculated Property |
| Tfus | 277.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.70; 315.27] | J/mol×K | [464.30; 637.56] | 
|
| Cp,gas | 258.70 | J/mol×K | 464.30 | Joback Calculated Property |
| Cp,gas | 269.22 | J/mol×K | 493.18 | Joback Calculated Property |
| Cp,gas | 279.29 | J/mol×K | 522.05 | Joback Calculated Property |
| Cp,gas | 288.91 | J/mol×K | 550.93 | Joback Calculated Property |
| Cp,gas | 298.10 | J/mol×K | 579.81 | Joback Calculated Property |
| Cp,gas | 306.89 | J/mol×K | 608.69 | Joback Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 637.56 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 204.83] | kPa | [369.15; 503.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63973e+01 | |||
| Coefficient B | -4.75406e+03 | |||
| Coefficient C | -7.38950e+01 | |||
| Temperature range, min. | 369.15 | |||
| Temperature range, max. | 503.15 | |||
| Pvap | 1.34 | kPa | 369.15 | Calculated Property |
| Pvap | 2.91 | kPa | 384.04 | Calculated Property |
| Pvap | 5.88 | kPa | 398.93 | Calculated Property |
| Pvap | 11.15 | kPa | 413.82 | Calculated Property |
| Pvap | 20.05 | kPa | 428.71 | Calculated Property |
| Pvap | 34.40 | kPa | 443.59 | Calculated Property |
| Pvap | 56.59 | kPa | 458.48 | Calculated Property |
| Pvap | 89.71 | kPa | 473.37 | Calculated Property |
| Pvap | 137.58 | kPa | 488.26 | Calculated Property |
| Pvap | 204.83 | kPa | 503.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octyn-3-ol.
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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