- InChI
- InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3H,1,4-7H2,2H3
- InChI Key
- MPLWNENKBSBMFN-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=CCCCCOC(C)=O
- Molecular Weight1
- 142.20
- CAS
- 5048-26-0
- Other Names
-
- 5-Hexen-1-ol, 1-acetate
- 5-Hexen-1-ol, acetate
- 5-hexenyl acetate
- Acetic acid 5-hexenyl ester
- 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 | 0.4708 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | 1001.40 | NIST | |
| I | [1313.00; 1313.00] |
|
|
| I | 1313.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1313.00 | NIST | |
| Tboil | 443.09 | K | Relay (1.0) Calculated Property |
| Tc | 627.65 | K | Relay (1.0) Calculated Property |
| Tfus | 212.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.72; 411.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.80340e+01 | |||
| Coefficient B | 6.89020e-01 | |||
| Coefficient C | -3.39700e-04 | |||
| Coefficient D | 4.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054593; 0.0002561] | Pa×s | [220.49; 428.91] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15068e+01 | |||
| Coefficient B | 1.38828e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 220.49 | |||
| Temperature range, max. | 428.91 | |||
| η | 0.0054593 | Pa×s | 220.49 | Calculated Property |
| η | 0.0030008 | Pa×s | 243.65 | Calculated Property |
| η | 0.0018300 | Pa×s | 266.81 | Calculated Property |
| η | 0.0012077 | Pa×s | 289.96 | Calculated Property |
| η | 0.0008476 | Pa×s | 313.12 | Calculated Property |
| η | 0.0006246 | Pa×s | 336.28 | Calculated Property |
| η | 0.0004787 | Pa×s | 359.44 | Calculated Property |
| η | 0.0003789 | Pa×s | 382.59 | Calculated Property |
| η | 0.0003080 | Pa×s | 405.75 | Calculated Property |
| η | 0.0002561 | Pa×s | 428.91 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexene-1-ol, acetate.
Sources
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