- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
- InChI Key
- VVGOCOMZRGWHPI-ARJAWSKDSA-N
- Formula
- C7H12O
- SMILES
- CCC=CCCC=O
- Molecular Weight1
- 112.17
- CAS
- 6728-31-0
- Other Names
-
- cis-4-Hepten-1-al
- (Z)-4-Hepten-1-al
- cis-4-Heptenal
- (4Z)-4-Heptenal
- 4-(Z)-Heptenal
- Hept-4(Z)-enal
- Hept-cis-4-enal
- (Z)-4-Heptenal
- ( Z)-Hept-4-enal
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -11.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [870.00; 915.00] |
|
|
| Inp | 898.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 905.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | Outlier 871.60 | NIST | |
| Inp | 899.10 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | Outlier 879.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | Outlier 870.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | 905.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | Outlier 871.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | Outlier 874.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 900.00 | NIST | |
| I | [1216.00; 1273.00] |
|
|
| I | 1235.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1220.00 | NIST | |
| I | 1242.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1220.00 | NIST | |
| I | 1233.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1255.00 | NIST | |
| I | 1251.00 | NIST | |
| I | 1253.00 | NIST | |
| I | Outlier 1267.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1233.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1257.00 | NIST | |
| I | 1223.00 | NIST | |
| I | 1221.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1249.00 | NIST | |
| I | 1251.00 | NIST | |
| I | 1251.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1248.00 | NIST | |
| I | Outlier 1267.00 | NIST | |
| I | Outlier 1269.00 | NIST | |
| I | Outlier 1273.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1241.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1263.00 | NIST | |
| I | 1222.00 | NIST | |
| I | 1228.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1219.00 | NIST | |
| I | 1245.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1233.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1255.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1222.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1245.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1249.00 | NIST | |
| Tboil | 412.38 | K | Joback Calculated Property |
| Tc | 592.75 | K | Joback Calculated Property |
| Tfus | 205.57 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.75; 258.96] | J/mol×K | [412.38; 592.75] |
|
| Cp,gas | 201.75 | J/mol×K | 412.38 | Joback Calculated Property |
| Cp,gas | 212.47 | J/mol×K | 442.44 | Joback Calculated Property |
| Cp,gas | 222.70 | J/mol×K | 472.50 | Joback Calculated Property |
| Cp,gas | 232.44 | J/mol×K | 502.57 | Joback Calculated Property |
| Cp,gas | 241.72 | J/mol×K | 532.63 | Joback Calculated Property |
| Cp,gas | 250.55 | J/mol×K | 562.69 | Joback Calculated Property |
| Cp,gas | 258.96 | J/mol×K | 592.75 | Joback Calculated Property |
| η | [0.0002654; 0.0042661] | Pa×s | [205.57; 412.38] |
|
| η | 0.0042661 | Pa×s | 205.57 | Joback Calculated Property |
| η | 0.0019261 | Pa×s | 240.04 | Joback Calculated Property |
| η | 0.0010618 | Pa×s | 274.51 | Joback Calculated Property |
| η | 0.0006685 | Pa×s | 308.98 | Joback Calculated Property |
| η | 0.0004619 | Pa×s | 343.44 | Joback Calculated Property |
| η | 0.0003414 | Pa×s | 377.91 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 412.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptenal, (Z)-.
Sources
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that the value is more than 2 standard deviations away from the
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