- InChI
- InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m1/s1
- InChI Key
- PRNCMAKCNVRZFX-SNVBAGLBSA-N
- Formula
- C10H22O
- SMILES
- CC(C)CCCC(C)CCO
- Molecular Weight1
- 158.28
- CAS
- 68680-98-8
- Other Names
-
- (-)-3,7-Dimethyl-1-octanol
- (S)-3,7-Dimethyl-1-octanol
- (S)-Dihydrocitronellol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6881 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.831 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Tboil | 489.93 | K | Relay (1.0) Calculated Property |
| Tc | 673.11 | K | Relay (1.0) Calculated Property |
| Tfus | 228.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.07; 456.11] | J/mol×K | [519.50; 683.75] | 
|
| Cp,gas | 381.07 | J/mol×K | 519.50 | Joback Calculated Property |
| Cp,gas | 394.90 | J/mol×K | 546.87 | Joback Calculated Property |
| Cp,gas | 408.18 | J/mol×K | 574.25 | Joback Calculated Property |
| Cp,gas | 420.93 | J/mol×K | 601.62 | Joback Calculated Property |
| Cp,gas | 433.16 | J/mol×K | 629.00 | Joback Calculated Property |
| Cp,gas | 444.88 | J/mol×K | 656.37 | Joback Calculated Property |
| Cp,gas | 456.11 | J/mol×K | 683.75 | Joback Calculated Property |
| η | [0.0001109; 0.1480969] | Pa×s | [233.28; 519.50] |
|
| η | 0.1480969 | Pa×s | 233.28 | Joback Calculated Property |
| η | 0.0161218 | Pa×s | 280.98 | Joback Calculated Property |
| η | 0.0033408 | Pa×s | 328.69 | Joback Calculated Property |
| η | 0.0010317 | Pa×s | 376.39 | Joback Calculated Property |
| η | 0.0004150 | Pa×s | 424.09 | Joback Calculated Property |
| η | 0.0002007 | Pa×s | 471.80 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 519.50 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.50 ± 0.50 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Octanol, 3,7-dimethyl-, (S)-.
Sources
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