- InChI
- InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3
- InChI Key
- ATTZFSUZZUNHBP-UHFFFAOYSA-N
- Formula
- C18H28O3S
- SMILES
-
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)O
CO2 - Molecular Weight1
- 324.48
- CAS
- 120-62-7
- Other Names
-
- 1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-
- Benzene, 1,2-(methylenedioxy)-4-[2-(octylsulfinyl)propyl]-
- n-Octylisosafrole sulfoxide
- Isosafrole n-octylsulfoxide
- Isosafrole octyl sulfoxide
- Piperonyl sulfoxide
- Sulfox-cide
- Sulfoxide, «alpha»-methyl-3,4-(methylenedioxy)phenethyl octyl
- Sulfoxyl
- Sulphoxide
- 1-Methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide
- 1,2-(Methylenedioxy)-4-[2-(octylsulfinyl)propyl]benzene
- 1,2-Methoxylenedioxy-4-[2-(octylsulfinyl)propyl]benzene
- 5-[2-(Octylsulfinyl)propyl]-1,3-benzodioxole
- n-Octylsulfoxide of isosafrole
- ENT 16,634
- NCI-C02824
- 1-(2,3-Methylendioxyfenyl)-2-(oktylsufinyl)propan
- Sulfocide
- NSC 8400
- Piperonyl sulfoxide (insecticide)
- Sulfoxide (synergist)
- 1-(3,4-methylenedioxyphenyl)isopropyl octyl sulphoxide
- 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).
- 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° | -130.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 263.820 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Tboil | 771.03 | K | Joback Calculated Property |
| Tc | 975.86 | K | Joback Calculated Property |
| Tfus | 440.88 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.50; 875.66] | J/mol×K | [771.03; 975.86] | 
|
| Cp,gas | 787.50 | J/mol×K | 771.03 | Joback Calculated Property |
| Cp,gas | 804.70 | J/mol×K | 805.17 | Joback Calculated Property |
| Cp,gas | 820.82 | J/mol×K | 839.31 | Joback Calculated Property |
| Cp,gas | 835.92 | J/mol×K | 873.44 | Joback Calculated Property |
| Cp,gas | 850.05 | J/mol×K | 907.58 | Joback Calculated Property |
| Cp,gas | 863.28 | J/mol×K | 941.72 | Joback Calculated Property |
| Cp,gas | 875.66 | J/mol×K | 975.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfoxide.
Sources
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