- InChI
- InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3
- InChI Key
- IATZLNCRIIUXJM-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCCCC#CC(=O)OC
- Molecular Weight1
- 140.18
- CAS
- 18937-78-5
- Other Names
-
- 2-Heptynoic acid, methyl ester
- methyl hept-2-ynoate
- 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).
- 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 | 0.4094 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 122.420 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 454.93 | K | Relay (1.0) Calculated Property |
| Tc | 610.70 | K | Relay (1.0) Calculated Property |
| Tfus | 227.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.02; 309.98] | J/mol×K | [467.73; 666.26] | 
|
| Cp,gas | 249.02 | J/mol×K | 467.73 | Joback Calculated Property |
| Cp,gas | 260.23 | J/mol×K | 500.82 | Joback Calculated Property |
| Cp,gas | 271.01 | J/mol×K | 533.91 | Joback Calculated Property |
| Cp,gas | 281.38 | J/mol×K | 567.00 | Joback Calculated Property |
| Cp,gas | 291.33 | J/mol×K | 600.08 | Joback Calculated Property |
| Cp,gas | 300.87 | J/mol×K | 633.17 | Joback Calculated Property |
| Cp,gas | 309.98 | J/mol×K | 666.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-2-heptynoate.
Sources
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