- InChI
- InChI=1S/C13H18/c1-10-7-6-8-12(9-10)11(2)13(3,4)5/h6-9H,2H2,1,3-5H3
- InChI Key
- PEAIPOWGIUBVPV-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- C=C(c1cccc(C)c1)C(C)(C)C
- Molecular Weight1
- 174.28
- CAS
- 146558-42-1
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3749 | Relay (1.0) Calculated Property | |
| PAff | 867.40 | kJ/mol | NIST |
| BasG | 838.50 | kJ/mol | NIST |
| ΔfG° | 243.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.054 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Tboil | 499.25 | K | Relay (1.0) Calculated Property |
| Tc | 701.97 | K | Relay (1.0) Calculated Property |
| Tfus | 251.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.17; 469.92] | J/mol×K | [521.83; 740.62] | 
|
| Cp,gas | 377.17 | J/mol×K | 521.83 | Joback Calculated Property |
| Cp,gas | 395.40 | J/mol×K | 558.30 | Joback Calculated Property |
| Cp,gas | 412.43 | J/mol×K | 594.76 | Joback Calculated Property |
| Cp,gas | 428.33 | J/mol×K | 631.23 | Joback Calculated Property |
| Cp,gas | 443.16 | J/mol×K | 667.69 | Joback Calculated Property |
| Cp,gas | 457.01 | J/mol×K | 704.16 | Joback Calculated Property |
| Cp,gas | 469.92 | J/mol×K | 740.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-.
Sources
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