- InChI
- InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3
- InChI Key
- NZIDBRBFGPQCRY-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=C(C)C(=O)OCCCCCCCC
- Molecular Weight1
- 198.30
- CAS
- 2157-01-9
- Other Names
-
- Octyl methacrylate
- n-Octyl methacrylate
- Methacrylic acid, octyl ester
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.6701 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1357.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1357.00 | NIST | |
| I | [1632.00; 1639.00] |
|
|
| I | 1632.00 | NIST | |
| I | 1639.00 | NIST | |
| Tboil | 503.55 | K | Relay (1.0) Calculated Property |
| Tc | 687.15 | K | Relay (1.0) Calculated Property |
| Tfus | 230.30 ± 0.20 | K | NIST |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.15; 527.04] | J/mol×K | [546.81; 722.17] |
|
| Cp,gas | 444.15 | J/mol×K | 546.81 | Joback Calculated Property |
| Cp,gas | 459.52 | J/mol×K | 576.04 | Joback Calculated Property |
| Cp,gas | 474.25 | J/mol×K | 605.26 | Joback Calculated Property |
| Cp,gas | 488.35 | J/mol×K | 634.49 | Joback Calculated Property |
| Cp,gas | 501.84 | J/mol×K | 663.72 | Joback Calculated Property |
| Cp,gas | 514.73 | J/mol×K | 692.95 | Joback Calculated Property |
| Cp,gas | 527.04 | J/mol×K | 722.17 | Joback Calculated Property |
| ΔfusH | 24.09 | kJ/mol | 230.30 | NIST |
| ΔvapH | 55.60 | kJ/mol | 448.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-methyl-, octyl ester.
Sources
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