- InChI
- InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
- InChI Key
- WPFVBOQKRVRMJB-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(CC=O)CCCC(C)(C)O
- Molecular Weight1
- 172.26
- CAS
- 107-75-5
- Other Names
-
- Hydroxycitronellal
- Citronellal hydrate
- Citronellal, hydroxy-
- Cyclalia
- Cyclosia
- Fixol
- Laurine
- Lilyl aldehyde
- Muguet synthetic
- Muguettine principle
- Phixia
- 3,7-Dimethyl-7-hydroxyoctanal
- 7-Hydroxy-3,7-dimethyloctanal
- 7-Hydroxycitronellal
- Musuet synthetic
- Musuettine principle
- 1-Octanal, 3,7-dimethyl-7-hydroxy-
- 7-Hydroxy-3,7-dimethyloctan-1-al
- NSC 406740
- 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° | -202.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.30 | kJ/mol | NIST |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.153 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | [1240.60; 1313.00] |
|
|
| Inp | 1255.20 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1240.60 | NIST | |
| Inp | 1242.50 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1305.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1255.20 | NIST | |
| I | [1882.00; 1947.00] |
|
|
| I | 1915.00 | NIST | |
| I | 1942.40 | NIST | |
| I | 1944.20 | NIST | |
| I | 1944.20 | NIST | |
| I | 1947.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1915.00 | NIST | |
| Tboil | 565.37 | K | Joback Calculated Property |
| Tc | 739.88 | K | Joback Calculated Property |
| Tfus | 292.70 | K | Joback Calculated Property |
| Vc | 0.615 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.96; 476.13] | J/mol×K | [565.37; 739.88] |
|
| Cp,gas | 406.96 | J/mol×K | 565.37 | Joback Calculated Property |
| Cp,gas | 420.03 | J/mol×K | 594.46 | Joback Calculated Property |
| Cp,gas | 432.44 | J/mol×K | 623.54 | Joback Calculated Property |
| Cp,gas | 444.23 | J/mol×K | 652.63 | Joback Calculated Property |
| Cp,gas | 455.42 | J/mol×K | 681.71 | Joback Calculated Property |
| Cp,gas | 466.05 | J/mol×K | 710.80 | Joback Calculated Property |
| Cp,gas | 476.13 | J/mol×K | 739.88 | Joback Calculated Property |
| η | [0.0001018; 0.0295891] | Pa×s | [292.70; 565.37] |
|
| η | 0.0295891 | Pa×s | 292.70 | Joback Calculated Property |
| η | 0.0060903 | Pa×s | 338.14 | Joback Calculated Property |
| η | 0.0018231 | Pa×s | 383.59 | Joback Calculated Property |
| η | 0.0007046 | Pa×s | 429.03 | Joback Calculated Property |
| η | 0.0003267 | Pa×s | 474.48 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 519.92 | Joback Calculated Property |
| η | 0.0001018 | Pa×s | 565.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanal, 7-hydroxy-3,7-dimethyl-.
Sources
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