- InChI
- InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3H,1,4-9H2,2H3
- InChI Key
- YLSXHHJLLXESHB-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CCCCCOC(=O)CCC
- Molecular Weight1
- 170.25
- CAS
- 108058-75-9
- Other Names
-
- 5-Hexenyl butyrate
- ω : Acentric Factor.
- 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).
- 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 | 0.5680 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [1183.00; 1183.00] |
|
|
| Inp | 1183.00 | NIST | |
| Inp | 1183.00 | NIST | |
| I | [1456.00; 1470.00] |
|
|
| I | 1470.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 469.82 | K | Relay (1.0) Calculated Property |
| Tc | 658.88 | K | Relay (1.0) Calculated Property |
| Tfus | 200.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.97; 419.02] | J/mol×K | [483.30; 655.87] |
|
| Cp,gas | 343.97 | J/mol×K | 483.30 | Joback Calculated Property |
| Cp,gas | 357.87 | J/mol×K | 512.06 | Joback Calculated Property |
| Cp,gas | 371.20 | J/mol×K | 540.82 | Joback Calculated Property |
| Cp,gas | 383.97 | J/mol×K | 569.58 | Joback Calculated Property |
| Cp,gas | 396.19 | J/mol×K | 598.34 | Joback Calculated Property |
| Cp,gas | 407.87 | J/mol×K | 627.11 | Joback Calculated Property |
| Cp,gas | 419.02 | J/mol×K | 655.87 | Joback Calculated Property |
| η | [0.0002112; 0.0053138] | Pa×s | [243.03; 483.30] |
|
| η | 0.0053138 | Pa×s | 243.03 | Joback Calculated Property |
| η | 0.0021225 | Pa×s | 283.08 | Joback Calculated Property |
| η | 0.0010643 | Pa×s | 323.12 | Joback Calculated Property |
| η | 0.0006215 | Pa×s | 363.16 | Joback Calculated Property |
| η | 0.0004038 | Pa×s | 403.21 | Joback Calculated Property |
| η | 0.0002836 | Pa×s | 443.25 | Joback Calculated Property |
| η | 0.0002112 | Pa×s | 483.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 5-hexenyl ester.
Sources
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