- InChI
- InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
- InChI Key
- NPFVOOAXDOBMCE-SNAWJCMRSA-N
- Formula
- C8H14O2
- SMILES
- CCC=CCCOC(C)=O
- Molecular Weight1
- 142.20
- CAS
- 3681-82-1
- Other Names
-
- (3E)-Hexenyl acetate
- (E)-3-Hexen-1-ol acetate
- (E)-3-Hexen-1-yl acetate
- (E)-3-Hexenol acetate
- (E)-3-Hexenyl acetate
- (E)-Hex-3-enol acetate
- trans-3-Hexen-1-ol, acetate
- trans-3-Hexenyl acetate
- (3E)-3-Hexenyl acetate
- (E)-hex-3-enyl 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).
- 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 | 0.4155 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [967.00; 1018.00] |
|
|
| Inp | 975.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 996.40 | NIST | |
| Inp | Outlier 967.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 975.00 | NIST | |
| I | [1291.00; 1351.00] |
|
|
| I | 1310.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1309.00 | NIST | |
| I | Outlier 1350.00 | NIST | |
| I | Outlier 1351.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1300.00 | NIST | |
| Tboil | 436.78 | K | Relay (1.0) Calculated Property |
| Tc | 617.05 | K | Relay (1.0) Calculated Property |
| Tfus | 192.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.49; 324.15] | J/mol×K | [445.02; 625.01] |
|
| Cp,gas | 258.49 | J/mol×K | 445.02 | Joback Calculated Property |
| Cp,gas | 270.72 | J/mol×K | 475.02 | Joback Calculated Property |
| Cp,gas | 282.42 | J/mol×K | 505.02 | Joback Calculated Property |
| Cp,gas | 293.60 | J/mol×K | 535.01 | Joback Calculated Property |
| Cp,gas | 304.27 | J/mol×K | 565.01 | Joback Calculated Property |
| Cp,gas | 314.45 | J/mol×K | 595.01 | Joback Calculated Property |
| Cp,gas | 324.15 | J/mol×K | 625.01 | Joback Calculated Property |
| η | [0.0002000; 0.0058194] | Pa×s | [217.17; 445.02] |
|
| η | 0.0058194 | Pa×s | 217.17 | Joback Calculated Property |
| η | 0.0021845 | Pa×s | 255.15 | Joback Calculated Property |
| η | 0.0010570 | Pa×s | 293.12 | Joback Calculated Property |
| η | 0.0006041 | Pa×s | 331.10 | Joback Calculated Property |
| η | 0.0003874 | Pa×s | 369.07 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 407.04 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 445.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexen-1-ol, acetate, (E)-.
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