- InChI
- InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3
- InChI Key
- LVHDNIMNOMRZMF-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CCCCOC(C)=O
- Molecular Weight1
- 128.17
- CAS
- 1576-85-8
- Other Names
-
- 4-Penten-1-ol acetate
- 4-Penten-1-yl acetate
- 4-Pentenyl acetate
- 5-Acetoxy-1-pentene
- pent-4-ene-1-yl acetate
- 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).
- Pvap : Vapor 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 | 0.4222 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | [861.00; 901.90] |
|
|
| Inp | 861.00 | NIST | |
| Inp | 901.90 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 861.00 | NIST | |
| I | [1204.00; 1204.00] |
|
|
| I | 1204.00 | NIST | |
| I | 1204.00 | NIST | |
| Tboil | 418.20 | K | NIST |
| Tc | 604.14 | K | Relay (1.0) Calculated Property |
| Tfus | 205.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.85; 279.98] | J/mol×K | [432.53; 612.55] |
|
| Cp,gas | 222.85 | J/mol×K | 432.53 | Joback Calculated Property |
| Cp,gas | 233.32 | J/mol×K | 462.53 | Joback Calculated Property |
| Cp,gas | 243.41 | J/mol×K | 492.54 | Joback Calculated Property |
| Cp,gas | 253.12 | J/mol×K | 522.54 | Joback Calculated Property |
| Cp,gas | 262.44 | J/mol×K | 552.54 | Joback Calculated Property |
| Cp,gas | 271.40 | J/mol×K | 582.54 | Joback Calculated Property |
| Cp,gas | 279.98 | J/mol×K | 612.55 | Joback Calculated Property |
| η | [0.0002641; 0.0028577] | Pa×s | [239.05; 432.53] |
|
| η | 0.0028577 | Pa×s | 239.05 | Joback Calculated Property |
| η | 0.0015177 | Pa×s | 271.30 | Joback Calculated Property |
| η | 0.0009221 | Pa×s | 303.54 | Joback Calculated Property |
| η | 0.0006165 | Pa×s | 335.79 | Joback Calculated Property |
| η | 0.0004423 | Pa×s | 368.04 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 400.28 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 432.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [315.22; 442.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54662e+01 | |||
| Coefficient B | -3.91341e+03 | |||
| Coefficient C | -5.73960e+01 | |||
| Temperature range, min. | 315.22 | |||
| Temperature range, max. | 442.77 | |||
| Pvap | 1.33 | kPa | 315.22 | Calculated Property |
| Pvap | 2.94 | kPa | 329.39 | Calculated Property |
| Pvap | 6.00 | kPa | 343.56 | Calculated Property |
| Pvap | 11.43 | kPa | 357.74 | Calculated Property |
| Pvap | 20.56 | kPa | 371.91 | Calculated Property |
| Pvap | 35.16 | kPa | 386.08 | Calculated Property |
| Pvap | 57.52 | kPa | 400.25 | Calculated Property |
| Pvap | 90.48 | kPa | 414.43 | Calculated Property |
| Pvap | 137.50 | kPa | 428.60 | Calculated Property |
| Pvap | 202.62 | kPa | 442.77 | Calculated Property |
Similar Compounds
Find more compounds similar to CH3C(O)O(CH2)3CH=CH2.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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