- InChI
- InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h3H,1,4-8H2,2H3
- InChI Key
- DTGXDHGNUDOWJS-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=CCCCOC(=O)CCC
- Molecular Weight1
- 156.22
- CAS
- 30563-31-6
- 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.
- 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 | 0.5244 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1070.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Tboil | 450.47 | K | Relay (1.0) Calculated Property |
| Tc | 642.50 | K | Relay (1.0) Calculated Property |
| Tfus | 194.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.04; 370.22] | J/mol×K | [460.42; 634.32] |
|
| Cp,gas | 300.04 | J/mol×K | 460.42 | Joback Calculated Property |
| Cp,gas | 313.02 | J/mol×K | 489.40 | Joback Calculated Property |
| Cp,gas | 325.48 | J/mol×K | 518.39 | Joback Calculated Property |
| Cp,gas | 337.41 | J/mol×K | 547.37 | Joback Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 576.36 | Joback Calculated Property |
| Cp,gas | 359.78 | J/mol×K | 605.34 | Joback Calculated Property |
| Cp,gas | 370.22 | J/mol×K | 634.32 | Joback Calculated Property |
| η | [0.0002267; 0.0054330] | Pa×s | [231.76; 460.42] |
|
| η | 0.0054330 | Pa×s | 231.76 | Joback Calculated Property |
| η | 0.0022017 | Pa×s | 269.87 | Joback Calculated Property |
| η | 0.0011157 | Pa×s | 307.98 | Joback Calculated Property |
| η | 0.0006567 | Pa×s | 346.09 | Joback Calculated Property |
| η | 0.0004294 | Pa×s | 384.20 | Joback Calculated Property |
| η | 0.0003031 | Pa×s | 422.31 | Joback Calculated Property |
| η | 0.0002267 | Pa×s | 460.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-pentenyl ester.
Sources
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