- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
- InChI Key
- ANISOHQJBAQUQP-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CC(=O)OCCCCCCCC
- Molecular Weight1
- 184.28
- CAS
- 2499-59-4
- Other Names
-
- Acrylic acid, octyl ester
- ENT 3827
- Octyl Acrylate
- n-Octyl acrylate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -104.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1273.00; 1295.00] |
|
|
| Inp | 1273.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1273.00 | NIST | |
| I | [1590.00; 1625.00] |
|
|
| I | 1590.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1625.00 | NIST | |
| I | 1625.00 | NIST | |
| Tboil | 524.05 | K | Joback Calculated Property |
| Tc | 698.08 | K | Joback Calculated Property |
| Tfus | 284.13 | K | Joback Calculated Property |
| Vc | 0.656 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.19; 474.25] | J/mol×K | [524.05; 698.08] |
|
| Cp,gas | 396.19 | J/mol×K | 524.05 | Joback Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 553.05 | Joback Calculated Property |
| Cp,gas | 424.47 | J/mol×K | 582.06 | Joback Calculated Property |
| Cp,gas | 437.74 | J/mol×K | 611.06 | Joback Calculated Property |
| Cp,gas | 450.46 | J/mol×K | 640.07 | Joback Calculated Property |
| Cp,gas | 462.62 | J/mol×K | 669.07 | Joback Calculated Property |
| Cp,gas | 474.25 | J/mol×K | 698.08 | Joback Calculated Property |
| η | [0.0002102; 0.0029982] | Pa×s | [284.13; 524.05] |
|
| η | 0.0029982 | Pa×s | 284.13 | Joback Calculated Property |
| η | 0.0014650 | Pa×s | 324.12 | Joback Calculated Property |
| η | 0.0008378 | Pa×s | 364.10 | Joback Calculated Property |
| η | 0.0005351 | Pa×s | 404.09 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 444.08 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 484.06 | Joback Calculated Property |
| η | 0.0002102 | Pa×s | 524.05 | Joback Calculated Property |
| ΔvapH | 56.20 | kJ/mol | 415.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [390.06; 527.19] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65377e+01 | |||
| Coefficient B | -4.97929e+03 | |||
| Coefficient C | -8.36470e+01 | |||
| Temperature range, min. | 390.06 | |||
| Temperature range, max. | 527.19 | |||
| Pvap | 1.33 | kPa | 390.06 | Calculated Property |
| Pvap | 2.88 | kPa | 405.30 | Calculated Property |
| Pvap | 5.80 | kPa | 420.53 | Calculated Property |
| Pvap | 10.99 | kPa | 435.77 | Calculated Property |
| Pvap | 19.76 | kPa | 451.01 | Calculated Property |
| Pvap | 33.89 | kPa | 466.24 | Calculated Property |
| Pvap | 55.79 | kPa | 481.48 | Calculated Property |
| Pvap | 88.53 | kPa | 496.72 | Calculated Property |
| Pvap | 135.93 | kPa | 511.95 | Calculated Property |
| Pvap | 202.66 | kPa | 527.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, octyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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