- InChI
- InChI=1S/C7H14O2/c1-4-7(5-2)9-6(3)8/h7H,4-5H2,1-3H3
- InChI Key
- PBKYSIMDORTIEU-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCC(CC)OC(C)=O
- Molecular Weight1
- 130.18
- CAS
- 620-11-1
- Other Names
-
- 3-Pentanol, acetate
- 1-ethylpropyl ethanoate
- 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 | 0.4442 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | [785.00; 835.00] |
|
|
| Inp | 785.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| I | 1077.00 | NIST | |
| Tboil | 407.00 ± 2.00 | K | NIST |
| Tc | 579.74 | K | Relay (1.0) Calculated Property |
| Tfus | 196.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.86; 297.91] | J/mol×K | [417.54; 594.25] |
|
| Cp,gas | 233.86 | J/mol×K | 417.54 | Joback Calculated Property |
| Cp,gas | 245.60 | J/mol×K | 446.99 | Joback Calculated Property |
| Cp,gas | 256.91 | J/mol×K | 476.44 | Joback Calculated Property |
| Cp,gas | 267.79 | J/mol×K | 505.90 | Joback Calculated Property |
| Cp,gas | 278.25 | J/mol×K | 535.35 | Joback Calculated Property |
| Cp,gas | 288.29 | J/mol×K | 564.80 | Joback Calculated Property |
| Cp,gas | 297.91 | J/mol×K | 594.25 | Joback Calculated Property |
| η | [0.0002434; 0.0106922] | Pa×s | [195.98; 417.54] |
|
| η | 0.0106922 | Pa×s | 195.98 | Joback Calculated Property |
| η | 0.0034531 | Pa×s | 232.91 | Joback Calculated Property |
| η | 0.0015195 | Pa×s | 269.83 | Joback Calculated Property |
| η | 0.0008147 | Pa×s | 306.76 | Joback Calculated Property |
| η | 0.0004995 | Pa×s | 343.69 | Joback Calculated Property |
| η | 0.0003367 | Pa×s | 380.61 | Joback Calculated Property |
| η | 0.0002434 | Pa×s | 417.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentyl acetate.
Sources
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