- InChI
- InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
- InChI Key
- MOQGCGNUWBPGTQ-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1=C(C=O)C(C)(C)CCC1
- Molecular Weight1
- 152.23
- CAS
- 432-25-7
- Other Names
-
- «beta»-Cyclocitral
- 1-Formyl-2,6,6-trimethyl-1-cyclohexene
- 2,6,6-trimethyl-cyclohexene-1-carboxaldehyde
- 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde
- 2,6,6-trimethylcyclohexene-1-carbaldehyde
- 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).
- 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° | -36.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | [1182.00; 1234.00] |
|
|
| Inp | 1224.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1226.10 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1222.50 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1202.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | Outlier 1182.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1223.90 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | Outlier 1187.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1222.50 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1218.00 | NIST | |
| I | [1581.00; 1638.00] |
|
|
| I | 1600.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1606.00 | NIST | |
| I | 1590.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1598.00 | NIST | |
| I | 1602.00 | NIST | |
| I | 1624.00 | NIST | |
| I | 1606.00 | NIST | |
| I | 1599.00 | NIST | |
| I | 1601.00 | NIST | |
| I | 1604.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1619.00 | NIST | |
| I | 1626.00 | NIST | |
| I | 1598.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1610.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1590.00 | NIST | |
| I | 1619.00 | NIST | |
| I | 1590.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1623.00 | NIST | |
| I | 1608.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1613.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1601.00 | NIST | |
| I | 1593.00 | NIST | |
| I | 1582.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1594.00 | NIST | |
| I | 1594.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1616.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1601.00 | NIST | |
| I | 1594.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1606.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1635.00 | NIST | |
| Tboil | 505.77 | K | Joback Calculated Property |
| Tc | 720.94 | K | Joback Calculated Property |
| Tfus | 301.54 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.28; 396.00] | J/mol×K | [505.77; 720.94] |
|
| Cp,gas | 313.28 | J/mol×K | 505.77 | Joback Calculated Property |
| Cp,gas | 329.19 | J/mol×K | 541.63 | Joback Calculated Property |
| Cp,gas | 344.11 | J/mol×K | 577.49 | Joback Calculated Property |
| Cp,gas | 358.15 | J/mol×K | 613.35 | Joback Calculated Property |
| Cp,gas | 371.41 | J/mol×K | 649.21 | Joback Calculated Property |
| Cp,gas | 383.99 | J/mol×K | 685.08 | Joback Calculated Property |
| Cp,gas | 396.00 | J/mol×K | 720.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-.
Sources
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