- InChI
- InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
- InChI Key
- CDOSHBSSFJOMGT-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C=CC(C)(O)CCC=C(C)C
- Molecular Weight1
- 154.25
- CAS
- 126-90-9
- Other Names
-
- (S)-Linalol
- (S)-3,7-dimethyl-1,6-octadien-3-ol
- (d) linalool
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 | 0.5721 | Relay (... Calculated Property | |
| ΔfG° | 58.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.41 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -1.84 | Relay (... Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 467.64 | K | Relay (... Calculated Property |
| Tc | 647.85 | K | Relay (... Calculated Property |
| Tfus | 258.51 | K | Relay (... Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.03; 416.91] | J/mol×K | [517.87; 697.57] | 
|
| Cp,gas | 347.03 | J/mol×K | 517.87 | Joback Calculated Property |
| Cp,gas | 360.38 | J/mol×K | 547.82 | Joback Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 577.77 | Joback Calculated Property |
| Cp,gas | 384.91 | J/mol×K | 607.72 | Joback Calculated Property |
| Cp,gas | 396.18 | J/mol×K | 637.67 | Joback Calculated Property |
| Cp,gas | 406.83 | J/mol×K | 667.62 | Joback Calculated Property |
| Cp,gas | 416.91 | J/mol×K | 697.57 | Joback Calculated Property |
| ΔvapH | [52.40; 65.40] | kJ/mol | [297.00; 392.00] |
|
| ΔvapH | 65.40 | kJ/mol | 297.00 | NIST |
| ΔvapH | 52.40 | kJ/mol | 392.00 | NIST |
Similar Compounds
Find more compounds similar to ( S)-linalool.
Sources
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