- InChI
- InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3
- InChI Key
- IGBZOHMCHDADGY-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=COC(=O)C(CC)CCCC
- Molecular Weight1
- 170.25
- CAS
- 94-04-2
- Other Names
-
- 2-Ethylhexanoic acid, vinyl ester
- 2-Ethylhexoic acid, vinyl ester
- Hexanoic acid, 2-ethyl-, ethenyl ester
- Hexanoic acid, 2-ethyl-, vinyl ester
- Vinyl 2-ethylhexoate
- Vinylester kyseliny 2-ethylkapronove
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -448.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.889 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Tboil | 442.50 | K | Relay (1.0) Calculated Property |
| Tc | 638.11 | K | Relay (1.0) Calculated Property |
| Tfus | 191.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.83; 515.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.45340e+01 | |||
| Coefficient B | 8.84940e-01 | |||
| Coefficient C | -4.51700e-04 | |||
| Coefficient D | 6.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 223.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 427.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 455.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 515.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0084056; 0.0002343] | Pa×s | [228.03; 461.31] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18587e+01 | |||
| Coefficient B | 1.61442e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 228.03 | |||
| Temperature range, max. | 461.31 | |||
| η | 0.0084056 | Pa×s | 228.03 | Calculated Property |
| η | 0.0040808 | Pa×s | 253.95 | Calculated Property |
| η | 0.0022649 | Pa×s | 279.87 | Calculated Property |
| η | 0.0013890 | Pa×s | 305.79 | Calculated Property |
| η | 0.0009195 | Pa×s | 331.71 | Calculated Property |
| η | 0.0006462 | Pa×s | 357.63 | Calculated Property |
| η | 0.0004763 | Pa×s | 383.55 | Calculated Property |
| η | 0.0003649 | Pa×s | 409.47 | Calculated Property |
| η | 0.0002885 | Pa×s | 435.39 | Calculated Property |
| η | 0.0002343 | Pa×s | 461.31 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [344.10; 519.38] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32411e+01 | |||
| Coefficient B | -3.58384e+03 | |||
| Coefficient C | -6.74310e+01 | |||
| Temperature range, min. | 344.10 | |||
| Temperature range, max. | 519.38 | |||
| Pvap | 1.33 | kPa | 344.10 | Calculated Property |
| Pvap | 3.13 | kPa | 363.58 | Calculated Property |
| Pvap | 6.59 | kPa | 383.05 | Calculated Property |
| Pvap | 12.76 | kPa | 402.53 | Calculated Property |
| Pvap | 22.96 | kPa | 422.00 | Calculated Property |
| Pvap | 38.86 | kPa | 441.48 | Calculated Property |
| Pvap | 62.43 | kPa | 460.95 | Calculated Property |
| Pvap | 95.92 | kPa | 480.43 | Calculated Property |
| Pvap | 141.78 | kPa | 499.90 | Calculated Property |
| Pvap | 202.63 | kPa | 519.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Vinyl 2-ethylhexanoate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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