- InChI
- InChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H2,9,10)
- InChI Key
- OCHGSVAVCZKJBA-UHFFFAOYSA-N
- Formula
- C8H13NO
- SMILES
- CCCCCC#CC(N)=O
- Molecular Weight1
- 139.19
- CAS
- 117821-02-0
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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).
- ΔfH°solid : Solid 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).
- 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 | 0.5437 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4817.90 | kJ/mol | NIST |
| ΔfG° | 156.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -188.10 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | 230.00 | kJ/mol | NIST |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.055 | Crippen Calculated Property | |
| McVol | 126.530 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Tboil | 491.84 | K | Relay (1.0) Calculated Property |
| Tc | 674.37 | K | Relay (1.0) Calculated Property |
| Tfus | 281.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.32; 341.76] | J/mol×K | [517.84; 729.14] | 
|
| Cp,gas | 279.32 | J/mol×K | 517.84 | Joback Calculated Property |
| Cp,gas | 291.14 | J/mol×K | 553.06 | Joback Calculated Property |
| Cp,gas | 302.37 | J/mol×K | 588.27 | Joback Calculated Property |
| Cp,gas | 313.02 | J/mol×K | 623.49 | Joback Calculated Property |
| Cp,gas | 323.13 | J/mol×K | 658.71 | Joback Calculated Property |
| Cp,gas | 332.70 | J/mol×K | 693.93 | Joback Calculated Property |
| Cp,gas | 341.76 | J/mol×K | 729.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-2-ynamide.
Sources
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