- InChI
- InChI=1S/C15H16S/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2
- InChI Key
- UJRJBPIWQWWQMB-UHFFFAOYSA-N
- Formula
- C15H16S
- SMILES
- c1ccc(CCCSc2ccccc2)cc1
- Molecular Weight1
- 228.35
- CAS
- 30134-12-4
- Other Names
-
- Phenyl 3-phenylpropyl sulphide
- 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).
- 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 | 0.4674 | Relay (1.0) Calculated Property | |
| ΔfG° | 333.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 190.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 191.040 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Tboil | 617.28 | K | Relay (1.0) Calculated Property |
| Tc | 836.37 | K | Relay (1.0) Calculated Property |
| Tfus | 307.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.35; 563.66] | J/mol×K | [664.74; 917.12] | 
|
| Cp,gas | 478.35 | J/mol×K | 664.74 | Joback Calculated Property |
| Cp,gas | 495.91 | J/mol×K | 706.80 | Joback Calculated Property |
| Cp,gas | 512.02 | J/mol×K | 748.87 | Joback Calculated Property |
| Cp,gas | 526.77 | J/mol×K | 790.93 | Joback Calculated Property |
| Cp,gas | 540.23 | J/mol×K | 832.99 | Joback Calculated Property |
| Cp,gas | 552.50 | J/mol×K | 875.05 | Joback Calculated Property |
| Cp,gas | 563.66 | J/mol×K | 917.12 | Joback Calculated Property |
Similar Compounds
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)
Find more compounds similar to Sulfide, phenyl 3-phenylpropyl.
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