- InChI
- InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h2,4-6H2,1,3H3
- InChI Key
- NBDVVMVSROFBBF-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=C(C)CCOC(=O)CC
- Molecular Weight1
- 142.20
- 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).
- 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.
- 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 | 0.4706 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | 958.00 | NIST | |
| I | 1252.00 | NIST | |
| Tboil | 432.18 | K | Relay (1.0) Calculated Property |
| Tc | 615.69 | K | Relay (1.0) Calculated Property |
| Tfus | 200.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.87; 411.38] | 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 | 1.83430e+01 | |||
| Coefficient B | 6.88940e-01 | |||
| Coefficient C | -3.42000e-04 | |||
| Coefficient D | 4.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-3-butenyl propanoate.
Sources
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