- InChI
- InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2
- InChI Key
- HRDCVMSNCBAMAM-UHFFFAOYSA-N
- Formula
- C6H6O
- SMILES
- C#CCOCC#C
- Molecular Weight1
- 94.11
- CAS
- 6921-27-3
- Other Names
-
- Dipropargyl ether
- 2-Propynyl ether
- Dipropargyl oxide
- Propargyl ether
- (HC«equiv»CCH2)2O
- Di(2-propynyl) ether
- Bis(2-propynyl) ether
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 783.90 | kJ/mol | NIST |
| BasG | 756.50 | kJ/mol | NIST |
| ΔfG° | 340.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 284.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 0.269 | Crippen Calculated Property | |
| McVol | 84.070 | ml/mol | McGowan Calculated Property |
| Pc | 4356.87 | kPa | Joback Calculated Property |
| Tboil | 339.34 | K | Joback Calculated Property |
| Tc | 528.84 | K | Joback Calculated Property |
| Tfus | 273.55 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.55; 176.13] | J/mol×K | [339.34; 528.84] | 
|
| Cp,gas | 140.55 | J/mol×K | 339.34 | Joback Calculated Property |
| Cp,gas | 147.14 | J/mol×K | 370.92 | Joback Calculated Property |
| Cp,gas | 153.45 | J/mol×K | 402.51 | Joback Calculated Property |
| Cp,gas | 159.50 | J/mol×K | 434.09 | Joback Calculated Property |
| Cp,gas | 165.29 | J/mol×K | 465.68 | Joback Calculated Property |
| Cp,gas | 170.83 | J/mol×K | 497.26 | Joback Calculated Property |
| Cp,gas | 176.13 | J/mol×K | 528.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propyne, 3,3'-oxybis-.
Sources
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