- InChI
- InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
- InChI Key
- RGUXEWWHSQGVRZ-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C#CC(OCC)OCC
- Molecular Weight1
- 128.17
- CAS
- 10160-87-9
- Other Names
-
- 1-Propyne, 3,3-diethoxy-
- Propargylaldehyde diethyl acetal
- 3,3-diethoxypropyne
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 18.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.47 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.019 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 394.08 | K | Joback Calculated Property |
| Tc | 574.54 | K | Joback Calculated Property |
| Tfus | 245.08 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.68; 272.72] | J/mol×K | [394.08; 574.54] | 
|
| Cp,gas | 216.68 | J/mol×K | 394.08 | Joback Calculated Property |
| Cp,gas | 226.75 | J/mol×K | 424.16 | Joback Calculated Property |
| Cp,gas | 236.53 | J/mol×K | 454.23 | Joback Calculated Property |
| Cp,gas | 246.02 | J/mol×K | 484.31 | Joback Calculated Property |
| Cp,gas | 255.22 | J/mol×K | 514.39 | Joback Calculated Property |
| Cp,gas | 264.12 | J/mol×K | 544.46 | Joback Calculated Property |
| Cp,gas | 272.72 | J/mol×K | 574.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 311.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 3,3-Diethoxy-1-propyne.
Sources
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