- 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-octenal
- 3,7-dimethyl-6-octen-1-al
- 6-Octenal, 3,7-dimethyl-
- Citronelal
- Citronella
- Citronellel
- NSC 46106
- Rhodinal
- «beta»-Citronellal
- «beta»-Citronellal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ρl : Liquid Density (kg/m3).
- 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° | 3.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback 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 | 1160.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1122.30 | NIST | |
| Inp | 1135.20 | 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 | 1483.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1489.00 | NIST | |
| I | Outlier 1450.00 | NIST | |
| Tboil | 481.00 ± 0.50 | K | NIST |
| Tc | 663.60 | K | Joback Calculated Property |
| Tfus | 210.42 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.12; 402.62] | J/mol×K | [480.46; 663.60] |
|
| Cp,gas | 326.12 | J/mol×K | 480.46 | Joback Calculated Property |
| Cp,gas | 340.49 | J/mol×K | 510.98 | Joback Calculated Property |
| Cp,gas | 354.17 | J/mol×K | 541.51 | Joback Calculated Property |
| Cp,gas | 367.20 | J/mol×K | 572.03 | Joback Calculated Property |
| Cp,gas | 379.60 | J/mol×K | 602.55 | Joback Calculated Property |
| Cp,gas | 391.40 | J/mol×K | 633.07 | Joback Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 663.60 | Joback Calculated Property |
| ρl | 856.30 | kg/m3 | 298.20 | Physica... |
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 Yaw...
|
| 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
- 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.