- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
- InChI Key
- GXANMBISFKBPEX-ARJAWSKDSA-N
- Formula
- C6H10O
- SMILES
- CCC=CCC=O
- Molecular Weight1
- 98.14
- CAS
- 6789-80-6
- Other Names
-
- (3Z)-3-Hexenal
- (Z)-3-Hexen-1-al
- (Z)-3-Hexenal
- (Z)-Hex-3enal
- 3-(Z)-Hexenal
- Hex-cis-3-enal
- cis-3-Hexenal
- cis-«beta»,«gamma»-Hexylenic aldehyde
- cis-«beta»,«gamma»-Hexylenic aldehyde
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -19.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [764.00; 834.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 808.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 805.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | Outlier 834.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | Outlier 829.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | Outlier 765.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | Outlier 834.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | Outlier 764.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 805.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | Outlier 834.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | Outlier 765.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 800.00 | NIST | |
| I | [1111.00; 1191.00] |
|
|
| I | 1138.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1146.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1120.00 | NIST | |
| I | 1124.00 | NIST | |
| I | 1126.00 | NIST | |
| I | 1118.00 | NIST | |
| I | 1126.00 | NIST | |
| I | 1124.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1132.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1148.00 | NIST | |
| I | Outlier 1111.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1121.00 | NIST | |
| I | 1125.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1146.00 | NIST | |
| I | 1132.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1154.00 | NIST | |
| I | 1149.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1158.00 | NIST | |
| I | 1137.00 | NIST | |
| I | 1133.00 | NIST | |
| I | 1126.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1114.00 | NIST | |
| I | 1134.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1139.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1139.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1146.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1142.00 | NIST | |
| I | Outlier 1176.00 | NIST | |
| I | 1144.00 | NIST | |
| I | 1115.00 | NIST | |
| I | Outlier 1191.00 | NIST | |
| I | 1134.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1140.00 | NIST | |
| I | 1143.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1120.00 | NIST | |
| I | 1144.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1147.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1124.00 | NIST | |
| I | 1151.00 | NIST | |
| Tboil | 389.50 | K | Joback Calculated Property |
| Tc | 570.95 | K | Joback Calculated Property |
| Tfus | 194.30 | K | Joback Calculated Property |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.69; 215.09] | J/mol×K | [389.50; 570.95] |
|
| Cp,gas | 164.69 | J/mol×K | 389.50 | Joback Calculated Property |
| Cp,gas | 174.16 | J/mol×K | 419.74 | Joback Calculated Property |
| Cp,gas | 183.18 | J/mol×K | 449.98 | Joback Calculated Property |
| Cp,gas | 191.76 | J/mol×K | 480.23 | Joback Calculated Property |
| Cp,gas | 199.93 | J/mol×K | 510.47 | Joback Calculated Property |
| Cp,gas | 207.70 | J/mol×K | 540.71 | Joback Calculated Property |
| Cp,gas | 215.09 | J/mol×K | 570.95 | Joback Calculated Property |
| η | [0.0002617; 0.0038680] | Pa×s | [194.30; 389.50] |
|
| η | 0.0038680 | Pa×s | 194.30 | Joback Calculated Property |
| η | 0.0017894 | Pa×s | 226.83 | Joback Calculated Property |
| η | 0.0010044 | Pa×s | 259.37 | Joback Calculated Property |
| η | 0.0006413 | Pa×s | 291.90 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 324.43 | Joback Calculated Property |
| η | 0.0003341 | Pa×s | 356.97 | Joback Calculated Property |
| η | 0.0002617 | Pa×s | 389.50 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [292.32; 436.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37556e+01 | |||
| Coefficient B | -3.25383e+03 | |||
| Coefficient C | -5.07240e+01 | |||
| Temperature range, min. | 292.32 | |||
| Temperature range, max. | 436.06 | |||
| Pvap | 1.33 | kPa | 292.32 | Calculated Property |
| Pvap | 3.07 | kPa | 308.29 | Calculated Property |
| Pvap | 6.43 | kPa | 324.26 | Calculated Property |
| Pvap | 12.39 | kPa | 340.23 | Calculated Property |
| Pvap | 22.29 | kPa | 356.20 | Calculated Property |
| Pvap | 37.84 | kPa | 372.18 | Calculated Property |
| Pvap | 61.10 | kPa | 388.15 | Calculated Property |
| Pvap | 94.47 | kPa | 404.12 | Calculated Property |
| Pvap | 140.67 | kPa | 420.09 | Calculated Property |
| Pvap | 202.66 | kPa | 436.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexenal, (Z)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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