- InChI
- InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
- InChI Key
- QTECDUFMBMSHKR-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- C=CCOC(=O)C=C
- Molecular Weight1
- 112.13
- CAS
- 999-55-3
- Other Names
-
- Acrylic acid, allyl ester
- Allyl acrylate
- 2-Propenyl ester of 2-propenoic acid
- 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).
- Inp : Non-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 | 0.4063 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.902 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Inp | [734.00; 742.00] |
|
|
| Inp | 734.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 734.00 | NIST | |
| Tboil | 388.93 | K | Relay (1.0) Calculated Property |
| Tc | 595.08 | K | Relay (1.0) Calculated Property |
| Tfus | 195.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.332 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.13; 216.05] | J/mol×K | [406.33; 591.53] |
|
| Cp,gas | 170.13 | J/mol×K | 406.33 | Joback Calculated Property |
| Cp,gas | 178.62 | J/mol×K | 437.20 | Joback Calculated Property |
| Cp,gas | 186.76 | J/mol×K | 468.06 | Joback Calculated Property |
| Cp,gas | 194.57 | J/mol×K | 498.93 | Joback Calculated Property |
| Cp,gas | 202.05 | J/mol×K | 529.79 | Joback Calculated Property |
| Cp,gas | 209.20 | J/mol×K | 560.66 | Joback Calculated Property |
| Cp,gas | 216.05 | J/mol×K | 591.53 | Joback Calculated Property |
| η | [0.0002641; 0.0023498] | Pa×s | [226.02; 406.33] |
|
| η | 0.0023498 | Pa×s | 226.02 | Joback Calculated Property |
| η | 0.0013182 | Pa×s | 256.07 | Joback Calculated Property |
| η | 0.0008349 | Pa×s | 286.12 | Joback Calculated Property |
| η | 0.0005768 | Pa×s | 316.18 | Joback Calculated Property |
| η | 0.0004249 | Pa×s | 346.23 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 376.28 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 406.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-propenyl ester.
Sources
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