- InChI
- InChI=1S/C10H12/c1-8(2)10-6-4-5-9(3)7-10/h4-7H,1H2,2-3H3
- InChI Key
- XXTQHVKTTBLFRI-UHFFFAOYSA-N
- Formula
- C10H12
- SMILES
- C=C(C)c1cccc(C)c1
- Molecular Weight1
- 132.20
- CAS
- 1124-20-5
- Other Names
-
- 1-Methyl-3-(prop-1-en-2-yl)benzene
- 1-methyl-3«alpha»-methylstyrene
- 1-methyl-3«alpha»-methylstyrene
- Benzene, 1-methyl-3-(1-methylethenyl)-
- m,«alpha»-dimethylstyrene
- m,«alpha»-dimethylstyrene
- 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).
- 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 |
|---|---|---|---|
| PAff | 867.60 | kJ/mol | NIST |
| BasG | 838.70 | kJ/mol | NIST |
| ΔfG° | 215.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.028 | Crippen Calculated Property | |
| McVol | 123.700 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [1061.00; 1088.00] |
|
|
| Inp | 1082.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1084.10 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1080.00 | NIST | |
| I | [1424.00; 1456.00] |
|
|
| I | 1456.00 | NIST | |
| I | 1424.00 | NIST | |
| Tboil | 456.42 | K | Joback Calculated Property |
| Tc | 671.23 | K | Joback Calculated Property |
| Tfus | 225.68 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.50; 314.37] | J/mol×K | [456.42; 671.23] |
|
| Cp,gas | 240.50 | J/mol×K | 456.42 | Joback Calculated Property |
| Cp,gas | 254.75 | J/mol×K | 492.22 | Joback Calculated Property |
| Cp,gas | 268.18 | J/mol×K | 528.02 | Joback Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 563.82 | Joback Calculated Property |
| Cp,gas | 292.71 | J/mol×K | 599.62 | Joback Calculated Property |
| Cp,gas | 303.88 | J/mol×K | 635.42 | Joback Calculated Property |
| Cp,gas | 314.37 | J/mol×K | 671.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Cymenene.
Sources
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