- InChI
- InChI=1S/C5H10O2S/c1-5(6)7-3-2-4-8/h8H,2-4H2,1H3
- InChI Key
- FVSBSLZVZIYRRO-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC(=O)OCCCS
- Molecular Weight1
- 134.20
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4994 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.869 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [989.00; 1000.00] |
|
|
| Inp | 1000.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1000.00 | NIST | |
| I | [1565.00; 1579.00] |
|
|
| I | 1579.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1579.00 | NIST | |
| Tboil | 456.10 | K | Relay (1.0) Calculated Property |
| Tc | 658.23 | K | Relay (1.0) Calculated Property |
| Tfus | 213.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.67; 310.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.86430e+01 | |||
| Coefficient B | 4.51320e-01 | |||
| Coefficient C | -1.76000e-04 | |||
| Coefficient D | -3.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 201.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 224.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 310.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylpropyl acetate.
Sources
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