- InChI
- InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-10H2,1-3H3
- InChI Key
- RTZXECZOXGVVTN-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCCCCC#CC(OCC)OCC
- Molecular Weight1
- 212.33
- CAS
- 79496-57-4
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -8143.70 | kJ/mol | NIST |
| ΔfH°gas | -293.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-401.90; 477.40] | kJ/mol |
|
| ΔfH°liquid | -401.90 ± 7.00 | kJ/mol | NIST |
| ΔfH°liquid | 477.40 | kJ/mol | NIST |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.359 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Tboil | 489.49 | K | Relay (1.0) Calculated Property |
| Tc | 663.67 | K | Relay (1.0) Calculated Property |
| Tfus | 216.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.86; 666.43] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.79470e+01 | |||
| Coefficient B | 9.68560e-01 | |||
| Coefficient C | -3.72460e-04 | |||
| Coefficient D | 1.23800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 294.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 409.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 505.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 546.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 583.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 615.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 643.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 666.43 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Diethoxynon-2-yne.
Sources
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