- InChI
- InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3
- InChI Key
- QPMDWYXUSMRVKT-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CCCCCC#CC(=O)OCC
- Molecular Weight1
- 168.23
- CAS
- 10519-20-7
- Other Names
-
- Ethyl 2-octynate
- Ethyl heptyne carboxylate
- 2-Octynoic acid, ethyl ester
- ethyl oct-2-ynoate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5837.90 | kJ/mol | NIST |
| ΔfG° | 2.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.23 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-383.80; 435.60] | kJ/mol |
|
| ΔfH°liquid | -383.80 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | 435.60 | kJ/mol | NIST |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Tboil | 513.49 | K | Joback Calculated Property |
| Tc | 707.09 | K | Joback Calculated Property |
| Tfus | 380.72 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.69; 407.19] | J/mol×K | [513.49; 707.09] |
|
| Cp,gas | 334.69 | J/mol×K | 513.49 | Joback Calculated Property |
| Cp,gas | 348.11 | J/mol×K | 545.76 | Joback Calculated Property |
| Cp,gas | 361.00 | J/mol×K | 578.02 | Joback Calculated Property |
| Cp,gas | 373.34 | J/mol×K | 610.29 | Joback Calculated Property |
| Cp,gas | 385.15 | J/mol×K | 642.55 | Joback Calculated Property |
| Cp,gas | 396.44 | J/mol×K | 674.82 | Joback Calculated Property |
| Cp,gas | 407.19 | J/mol×K | 707.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-octynoate.
Sources
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