- InChI
- InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
- InChI Key
- NEHNMFOYXAPHSD-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CC(C)=CCCC(C)CC=O
- Molecular Weight1
- 154.25
- CAS
- 106-23-0
- Other Names
-
- (.+-.)-citronellal
- .beta.-citronellal
- 2,3-dihydrocitral
- 3,7-dimethyl-6-octen-1-al
- 3,7-dimethyl-6-octenal
- 6-octenal, 3,7-dimethyl-
- Citronelal
- Citronella
- Citronellel
- NSC 46106
- Rhodinal
- «beta»-Citronellal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 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 |
|---|---|---|---|
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Inp | [1121.00; 1170.00] |
|
|
| Inp | 1135.20 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1122.30 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | Outlier 1170.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | Outlier 1121.00 | NIST | |
| Inp | Outlier 1121.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1135.20 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1122.30 | NIST | |
| I | [1432.00; 1508.00] |
|
|
| I | 1491.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1460.00 | NIST | |
| I | Outlier 1508.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1481.00 | NIST | |
| I | Outlier 1442.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1474.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1499.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1459.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1475.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1491.00 | NIST | |
| I | Outlier 1432.00 | NIST | |
| I | Outlier 1450.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1489.00 | NIST | |
| I | Outlier 1450.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1494.00 | NIST | |
| Tboil | 481.00 ± 0.50 | K | NIST |
| Tfus | 220.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.22; 402.72] | J/mol×K | [480.66; 663.87] |
|
| Cp,gas | 326.22 | J/mol×K | 480.66 | Joback Calculated Property |
| Cp,gas | 340.59 | J/mol×K | 511.20 | Joback Calculated Property |
| Cp,gas | 354.27 | J/mol×K | 541.73 | Joback Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 379.70 | J/mol×K | 602.80 | Joback Calculated Property |
| Cp,gas | 391.50 | J/mol×K | 633.34 | Joback Calculated Property |
| Cp,gas | 402.72 | J/mol×K | 663.87 | Joback Calculated Property |
| ρl | 856.30 | kg/m3 | 298.20 | Physical Behavior of the Phases from the Liquid-Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 100.00 | 298.20 | 850.03 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [361.12; 510.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49679e+01 | |||
| Coefficient B | -4.20573e+03 | |||
| Coefficient C | -7.46320e+01 | |||
| Temperature range, min. | 361.12 | |||
| Temperature range, max. | 510.17 | |||
| Pvap | 1.33 | kPa | 361.12 | Calculated Property |
| Pvap | 2.97 | kPa | 377.68 | Calculated Property |
| Pvap | 6.10 | kPa | 394.24 | Calculated Property |
| Pvap | 11.67 | kPa | 410.80 | Calculated Property |
| Pvap | 21.00 | kPa | 427.36 | Calculated Property |
| Pvap | 35.85 | kPa | 443.93 | Calculated Property |
| Pvap | 58.45 | kPa | 460.49 | Calculated Property |
| Pvap | 91.53 | kPa | 477.05 | Calculated Property |
| Pvap | 138.35 | kPa | 493.61 | Calculated Property |
| Pvap | 202.65 | kPa | 510.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Citronellal.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Deterpenation of eucalyptus essential oil by liquid + liquid extraction: Phase equilibrium and physical properties for model systems at T = 298.2 K
- Measurement and Correlation of Citronellal and Methyl Anthranilate Solubilities in Supercritical Carbon Dioxide
- Physical Behavior of the Phases from the Liquid-Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.
These property values are available through the Cheméo API. A free account gives you an access key.