- InChI
- InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3
- InChI Key
- UCSIFMPORANABL-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CC(C)CCCC(C)CC=O
- Molecular Weight1
- 156.27
- CAS
- 5988-91-0
- Other Names
-
- Tetrahydrocitral
- 3,7-dimethyloctanal
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5011 | Relay (1.0) Calculated Property | |
| ΔfusH° | 16.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Inp | [1156.00; 1156.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Tboil | 463.75 | K | Relay (1.0) Calculated Property |
| Tc | 653.60 | K | Relay (1.0) Calculated Property |
| Tfus | 222.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [343.01; 422.92] | J/mol×K | [476.18; 651.92] |
|
| Cp,gas | 343.01 | J/mol×K | 476.18 | Joback Calculated Property |
| Cp,gas | 357.82 | J/mol×K | 505.47 | Joback Calculated Property |
| Cp,gas | 372.02 | J/mol×K | 534.76 | Joback Calculated Property |
| Cp,gas | 385.61 | J/mol×K | 564.05 | Joback Calculated Property |
| Cp,gas | 398.61 | J/mol×K | 593.34 | Joback Calculated Property |
| Cp,gas | 411.04 | J/mol×K | 622.63 | Joback Calculated Property |
| Cp,gas | 422.92 | J/mol×K | 651.92 | Joback Calculated Property |
| η | [0.0002613; 0.0128629] | Pa×s | [214.46; 476.18] |
|
| η | 0.0128629 | Pa×s | 214.46 | Joback Calculated Property |
| η | 0.0038813 | Pa×s | 258.08 | Joback Calculated Property |
| η | 0.0016561 | Pa×s | 301.70 | Joback Calculated Property |
| η | 0.0008763 | Pa×s | 345.32 | Joback Calculated Property |
| η | 0.0005348 | Pa×s | 388.94 | Joback Calculated Property |
| η | 0.0003606 | Pa×s | 432.56 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 476.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanal, 3,7-dimethyl-.
Sources
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