- InChI
- InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
- InChI Key
- NEHNMFOYXAPHSD-SNVBAGLBSA-N
- Formula
- C10H18O
- SMILES
- CC(C)=CCCC(C)CC=O
- Molecular Weight1
- 154.25
- CAS
- 5949-05-3
- Other Names
-
- (S)-3,7-dimethyloct-6-enal
- 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.
- 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° | 3.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Inp | 1154.00 | NIST | |
| Tboil | 480.46 | K | Joback Calculated Property |
| Tc | 663.60 | K | Joback Calculated Property |
| Tfus | 210.42 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.12; 402.62] | J/mol×K | [480.46; 663.60] | 
|
| Cp,gas | 326.12 | J/mol×K | 480.46 | Joback Calculated Property |
| Cp,gas | 340.49 | J/mol×K | 510.98 | Joback Calculated Property |
| Cp,gas | 354.17 | J/mol×K | 541.51 | Joback Calculated Property |
| Cp,gas | 367.20 | J/mol×K | 572.03 | Joback Calculated Property |
| Cp,gas | 379.60 | J/mol×K | 602.55 | Joback Calculated Property |
| Cp,gas | 391.40 | J/mol×K | 633.07 | Joback Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 663.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3S)-(-)-Citronellal.
Sources
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