- InChI
- InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3
- InChI Key
- PPPFYBPQAPISCT-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CC(=O)OCC(C)O
- Molecular Weight1
- 118.13
- CAS
- 627-69-0
- Other Names
-
- 1-Acetoxy-2-propanol
- Acetic acid, propoxylated
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- I : Polar retention indices.
- 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 | 0.6115 | Relay (1.0) Calculated Property | |
| ΔfG° | -458.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| I | [1579.00; 1579.00] |
|
|
| I | 1579.00 | NIST | |
| I | 1579.00 | NIST | |
| Tboil | 442.73 | K | Relay (1.0) Calculated Property |
| Tc | 610.57 | K | Relay (1.0) Calculated Property |
| Tfus | 255.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.36; 246.99] | J/mol×K | [463.96; 636.68] |
|
| Cp,gas | 202.36 | J/mol×K | 463.96 | Joback Calculated Property |
| Cp,gas | 210.57 | J/mol×K | 492.75 | Joback Calculated Property |
| Cp,gas | 218.47 | J/mol×K | 521.53 | Joback Calculated Property |
| Cp,gas | 226.07 | J/mol×K | 550.32 | Joback Calculated Property |
| Cp,gas | 233.35 | J/mol×K | 579.11 | Joback Calculated Property |
| Cp,gas | 240.32 | J/mol×K | 607.89 | Joback Calculated Property |
| Cp,gas | 246.99 | J/mol×K | 636.68 | Joback Calculated Property |
| η | [0.0001857; 0.0904747] | Pa×s | [234.26; 463.96] |
|
| η | 0.0904747 | Pa×s | 234.26 | Joback Calculated Property |
| η | 0.0156295 | Pa×s | 272.54 | Joback Calculated Property |
| η | 0.0041611 | Pa×s | 310.83 | Joback Calculated Property |
| η | 0.0014809 | Pa×s | 349.11 | Joback Calculated Property |
| η | 0.0006464 | Pa×s | 387.39 | Joback Calculated Property |
| η | 0.0003276 | Pa×s | 425.68 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 463.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-propanediol, 1-acetate.
Sources
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