- 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-PLNGDYQASA-N
- Formula
- C8H14O2
- SMILES
- CCC=CCCOC(C)=O
- Molecular Weight1
- 142.20
- CAS
- 3681-71-8
- Other Names
-
- (3Z)-3-Hexenyl acetate
- (Z)-3-Hexen-1-ol acetate
- (Z)-3-Hexen-1-yl, acetate
- (Z)-3-Hexenol acetate
- (Z)-3-hexenyl acetate
- (Z)-Hex-3-enyl acetate
- 3(Z)-Hexenyl acetate
- 3-Hexenol acetate, cis
- Acetic acid cis-3-hexenyl ester
- Hex-3(Z)-enyl acetate
- Z-Hex-3-en-1-yl acetate
- cis-3-Hexen-1-ol, acetate
- cis-3-Hexenyl Acetate
- cis-3-Hexenyl-1-acetate
- cis-Hex-3-enyl acetate
- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -137.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [969.00; 1020.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 976.40 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 990.20 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1006.40 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | Outlier 972.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | Outlier 1020.00 | NIST | |
| Inp | Outlier 1020.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | Outlier 969.00 | NIST | |
| I | [1275.00; 1346.00] |
|
|
| I | 1315.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1321.00 | NIST | |
| I | Outlier 1346.00 | NIST | |
| I | 1311.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1324.20 | NIST | |
| I | 1308.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1299.00 | NIST | |
| I | Outlier 1275.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1317.00 | NIST | |
| I | Outlier 1338.00 | NIST | |
| I | Outlier 1338.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1311.00 | NIST | |
| I | Outlier 1290.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1308.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1309.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1313.10 | NIST | |
| I | 1310.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1311.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1317.00 | NIST | |
| I | Outlier 1290.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1327.00 | NIST | |
| I | Outlier 1279.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1329.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1316.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1300.00 | NIST | |
| Tboil | 442.00 | K | NIST |
| Tc | 646.21 | K | Joback Calculated Property |
| Tfus | 247.00 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.30; 327.49] | J/mol×K | [462.89; 646.21] |
|
| Cp,gas | 263.30 | J/mol×K | 462.89 | Joback Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 493.44 | Joback Calculated Property |
| Cp,gas | 286.60 | J/mol×K | 524.00 | Joback Calculated Property |
| Cp,gas | 297.52 | J/mol×K | 554.55 | Joback Calculated Property |
| Cp,gas | 307.96 | J/mol×K | 585.10 | Joback Calculated Property |
| Cp,gas | 317.95 | J/mol×K | 615.66 | Joback Calculated Property |
| Cp,gas | 327.49 | J/mol×K | 646.21 | Joback Calculated Property |
| η | [0.0005090; 0.0008930] | Pa×s | [293.15; 333.15] |
|
| η | 0.0008930 | Pa×s | 293.15 | Density... |
| η | 0.0008930 | Pa×s | 293.15 | Density... |
| η | 0.0008230 | Pa×s | 298.15 | Density... |
| η | 0.0007630 | Pa×s | 303.15 | Density... |
| η | 0.0007630 | Pa×s | 303.15 | Density... |
| η | 0.0007080 | Pa×s | 308.15 | Density... |
| η | 0.0006600 | Pa×s | 313.15 | Density... |
| η | 0.0006600 | Pa×s | 313.15 | Density... |
| η | 0.0006160 | Pa×s | 318.15 | Density... |
| η | 0.0005760 | Pa×s | 323.15 | Density... |
| η | 0.0005420 | Pa×s | 328.15 | Density... |
| η | 0.0005090 | Pa×s | 333.15 | Density... |
Similar Compounds
Find more compounds similar to 3-Hexen-1-ol, acetate, (Z)-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
- Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
- Green Leaf Volatiles on Atmospheric Air/Water Interfaces: A Combined Experimental and Molecular Simulation Study
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.