- InChI
- InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
- InChI Key
- VPFMEXRVUOPYRG-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- C#CCCCC(=O)O
- Molecular Weight1
- 112.13
- CAS
- 53293-00-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -43.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.23 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.874 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Tboil | 472.85 | K | Joback Calculated Property |
| Tc | 655.53 | K | Joback Calculated Property |
| Tfus | 315.10 | K | Joback Calculated Property |
| Vc | 0.358 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.65; 231.43] | J/mol×K | [472.85; 655.53] | 
|
| Cp,gas | 192.65 | J/mol×K | 472.85 | Joback Calculated Property |
| Cp,gas | 199.95 | J/mol×K | 503.30 | Joback Calculated Property |
| Cp,gas | 206.90 | J/mol×K | 533.74 | Joback Calculated Property |
| Cp,gas | 213.50 | J/mol×K | 564.19 | Joback Calculated Property |
| Cp,gas | 219.79 | J/mol×K | 594.64 | Joback Calculated Property |
| Cp,gas | 225.76 | J/mol×K | 625.08 | Joback Calculated Property |
| Cp,gas | 231.43 | J/mol×K | 655.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.50 ± 1.50 | K | 0.03 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 203.47] | kPa | [401.15; 553.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57053e+01 | |||
| Coefficient B | -4.84556e+03 | |||
| Coefficient C | -8.67730e+01 | |||
| Temperature range, min. | 401.15 | |||
| Temperature range, max. | 553.15 | |||
| Pvap | 1.34 | kPa | 401.15 | Calculated Property |
| Pvap | 2.94 | kPa | 418.04 | Calculated Property |
| Pvap | 5.97 | kPa | 434.93 | Calculated Property |
| Pvap | 11.37 | kPa | 451.82 | Calculated Property |
| Pvap | 20.46 | kPa | 468.71 | Calculated Property |
| Pvap | 35.01 | kPa | 485.59 | Calculated Property |
| Pvap | 57.35 | kPa | 502.48 | Calculated Property |
| Pvap | 90.40 | kPa | 519.37 | Calculated Property |
| Pvap | 137.71 | kPa | 536.26 | Calculated Property |
| Pvap | 203.47 | kPa | 553.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexynoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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