- InChI
- InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)
- InChI Key
- UEERQXQKEJPYBR-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CCCCC#CC(=O)O
- Molecular Weight1
- 126.15
- CAS
- 1483-67-6
- Other Names
-
- hept-2-ynoic acid
- 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).
- 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° | -54.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.265 | Crippen Calculated Property | |
| McVol | 108.330 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 514.61 | K | Joback Calculated Property |
| Tc | 705.50 | K | Joback Calculated Property |
| Tfus | 385.50 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.74; 277.69] | J/mol×K | [514.61; 705.50] | 
|
| Cp,gas | 230.74 | J/mol×K | 514.61 | Joback Calculated Property |
| Cp,gas | 239.50 | J/mol×K | 546.42 | Joback Calculated Property |
| Cp,gas | 247.87 | J/mol×K | 578.24 | Joback Calculated Property |
| Cp,gas | 255.87 | J/mol×K | 610.05 | Joback Calculated Property |
| Cp,gas | 263.49 | J/mol×K | 641.87 | Joback Calculated Property |
| Cp,gas | 270.76 | J/mol×K | 673.68 | Joback Calculated Property |
| Cp,gas | 277.69 | J/mol×K | 705.50 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.36; 204.58] | kPa | [418.15; 575.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57124e+01 | |||
| Coefficient B | -5.01495e+03 | |||
| Coefficient C | -9.25450e+01 | |||
| Temperature range, min. | 418.15 | |||
| Temperature range, max. | 575.15 | |||
| Pvap | 1.36 | kPa | 418.15 | Calculated Property |
| Pvap | 2.99 | kPa | 435.59 | Calculated Property |
| Pvap | 6.06 | kPa | 453.04 | Calculated Property |
| Pvap | 11.51 | kPa | 470.48 | Calculated Property |
| Pvap | 20.67 | kPa | 487.93 | Calculated Property |
| Pvap | 35.32 | kPa | 505.37 | Calculated Property |
| Pvap | 57.80 | kPa | 522.82 | Calculated Property |
| Pvap | 91.03 | kPa | 540.26 | Calculated Property |
| Pvap | 138.55 | kPa | 557.71 | Calculated Property |
| Pvap | 204.58 | kPa | 575.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptynoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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