- InChI
- InChI=1S/C8H14O2/c1-4-5-6-8(9)10-7(2)3/h2,4-6H2,1,3H3
- InChI Key
- UFLBUFFOFIVMQT-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=C(C)OC(=O)CCCC
- 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 | 0.5331 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.253 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [1113.00; 1153.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1152.00 | NIST | |
| I | 1365.00 | NIST | |
| Tboil | 420.11 | K | Relay (1.0) Calculated Property |
| Tc | 611.89 | K | Relay (1.0) Calculated Property |
| Tfus | 197.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.12; 323.70] | J/mol×K | [437.42; 615.91] |
|
| Cp,gas | 258.12 | J/mol×K | 437.42 | Joback Calculated Property |
| Cp,gas | 270.25 | J/mol×K | 467.17 | Joback Calculated Property |
| Cp,gas | 281.90 | J/mol×K | 496.92 | Joback Calculated Property |
| Cp,gas | 293.06 | J/mol×K | 526.66 | Joback Calculated Property |
| Cp,gas | 303.74 | J/mol×K | 556.41 | Joback Calculated Property |
| Cp,gas | 313.95 | J/mol×K | 586.16 | Joback Calculated Property |
| Cp,gas | 323.70 | J/mol×K | 615.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isoprenyl pentanoate.
Sources
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