- InChI
- InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3
- InChI Key
- DEMWVPUIZCCHPT-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1=CC(C)C(C)C(C=O)C1
- Molecular Weight1
- 152.23
- CAS
- 1335-66-6
- Other Names
-
- 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-, and 3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
- 1-Formyl-3,5,6-trimethyl-3-cyclohexene and 1-formyl-2,4,6-trimethyl-3-cyclohexene
- 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° | -36.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.424 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | [1117.00; 1119.90] |
|
|
| Inp | 1119.90 | NIST | |
| Inp | 1117.00 | NIST | |
| I | 1515.00 | NIST | |
| Tboil | 491.21 | K | Joback Calculated Property |
| Tc | 695.98 | K | Joback Calculated Property |
| Tfus | 256.64 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.91; 404.74] | J/mol×K | [491.21; 695.98] |
|
| Cp,gas | 313.91 | J/mol×K | 491.21 | Joback Calculated Property |
| Cp,gas | 331.02 | J/mol×K | 525.34 | Joback Calculated Property |
| Cp,gas | 347.33 | J/mol×K | 559.47 | Joback Calculated Property |
| Cp,gas | 362.84 | J/mol×K | 593.59 | Joback Calculated Property |
| Cp,gas | 377.58 | J/mol×K | 627.72 | Joback Calculated Property |
| Cp,gas | 391.54 | J/mol×K | 661.85 | Joback Calculated Property |
| Cp,gas | 404.74 | J/mol×K | 695.98 | Joback Calculated Property |
| η | [0.0003370; 0.0018898] | Pa×s | [256.64; 491.21] |
|
| η | 0.0018898 | Pa×s | 256.64 | Joback Calculated Property |
| η | 0.0011726 | Pa×s | 295.74 | Joback Calculated Property |
| η | 0.0008133 | Pa×s | 334.83 | Joback Calculated Property |
| η | 0.0006090 | Pa×s | 373.92 | Joback Calculated Property |
| η | 0.0004817 | Pa×s | 413.02 | Joback Calculated Property |
| η | 0.0003967 | Pa×s | 452.12 | Joback Calculated Property |
| η | 0.0003370 | Pa×s | 491.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isocyclocitral.
Sources
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