![Pentane, 1-[(3-methylbutyl)thio]-](/cid/50-489-4/Pentane-1-3-methylbutyl-thio.png "Pentane, 1-[(3-methylbutyl)thio]-")
- InChI
- InChI=1S/C10H22S/c1-4-5-6-8-11-9-7-10(2)3/h10H,4-9H2,1-3H3
- InChI Key
- XUNPTYBWYTYKIS-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCCCCSCCC(C)C
- Molecular Weight1
- 174.35
- CAS
- 7352-01-4
- Other Names
-
- Sulfide, isopentyl pentyl
- 1-(Isopentylsulfanyl)pentane
- 2-Methyl-5-thiadecane
- Pentyl isopentyl sulfide
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4587 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [1237.00; 1237.00] |
|
|
| Inp | 1237.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Tboil | 485.37 | K | Relay (1.0) Calculated Property |
| Tc | 666.71 | K | Relay (1.0) Calculated Property |
| Tfus | 202.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.11; 463.12] | J/mol×K | [496.54; 682.34] |
|
| Cp,gas | 376.11 | J/mol×K | 496.54 | Joback Calculated Property |
| Cp,gas | 392.28 | J/mol×K | 527.51 | Joback Calculated Property |
| Cp,gas | 407.76 | J/mol×K | 558.47 | Joback Calculated Property |
| Cp,gas | 422.57 | J/mol×K | 589.44 | Joback Calculated Property |
| Cp,gas | 436.72 | J/mol×K | 620.41 | Joback Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 651.37 | Joback Calculated Property |
| Cp,gas | 463.12 | J/mol×K | 682.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-[(3-methylbutyl)thio]-.
Sources
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