- InChI
- InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
- InChI Key
- RUMOYJJNUMEFDD-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- C=C(C)C1CC=C(C=O)CC1
- Molecular Weight1
- 150.22
- CAS
- 18031-40-8
- Other Names
-
- L-Perillaldehyde
- 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (S)-(-)-
- (-)-Perillaldehyde
- (4S)-p-Mentha-1,8-dien-7-al
- (S)-(-)-Perillaldehyde
- 4-Isopropenyl-1-cyclohexene-1-carbaldehyde, (S)-
- (S)-(-)-Perillic aldehyde
- 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)-
- (-)-Perilla aldehyde
- 1-perillaldehyde
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 57.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | [1243.00; 1243.00] |
|
|
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| I | [1768.00; 1777.00] |
|
|
| I | 1776.00 | NIST | |
| I | 1774.00 | NIST | |
| I | Outlier 1768.00 | NIST | |
| I | 1777.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1776.00 | NIST | |
| Tboil | 497.11 | K | Joback Calculated Property |
| Tc | 710.87 | K | Joback Calculated Property |
| Tfus | 249.40 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.38; 377.49] | J/mol×K | [497.11; 710.87] |
|
| Cp,gas | 294.38 | J/mol×K | 497.11 | Joback Calculated Property |
| Cp,gas | 310.40 | J/mol×K | 532.74 | Joback Calculated Property |
| Cp,gas | 325.51 | J/mol×K | 568.36 | Joback Calculated Property |
| Cp,gas | 339.74 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 353.13 | J/mol×K | 639.62 | Joback Calculated Property |
| Cp,gas | 365.70 | J/mol×K | 675.25 | Joback Calculated Property |
| Cp,gas | 377.49 | J/mol×K | 710.87 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.