- InChI
- InChI=1S/C11H12O2/c1-13-11(12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10+/m0/s1
- InChI Key
- BQRFZWGTJXCXSR-VHSXEESVSA-N
- Formula
- C11H12O2
- SMILES
- COC(=O)C1CC1c1ccccc1
- Molecular Weight1
- 176.21
- CAS
- 5861-31-4
- Other Names
-
- Methyl 2-phenylcyclopropanecarboxylate, trans-
- trans-Methylcyclopropanecarboxylate, 2-methyl-2-phenyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -26.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 138.670 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Inp | 1375.00 | NIST | |
| Tboil | 556.12 | K | Joback Calculated Property |
| Tc | 781.18 | K | Joback Calculated Property |
| Tfus | 326.01 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.41; 412.73] | J/mol×K | [556.12; 781.18] | 
|
| Cp,gas | 333.41 | J/mol×K | 556.12 | Joback Calculated Property |
| Cp,gas | 349.06 | J/mol×K | 593.63 | Joback Calculated Property |
| Cp,gas | 363.68 | J/mol×K | 631.14 | Joback Calculated Property |
| Cp,gas | 377.31 | J/mol×K | 668.65 | Joback Calculated Property |
| Cp,gas | 390.00 | J/mol×K | 706.16 | Joback Calculated Property |
| Cp,gas | 401.79 | J/mol×K | 743.67 | Joback Calculated Property |
| Cp,gas | 412.73 | J/mol×K | 781.18 | Joback Calculated Property |
| η | [0.0004959; 0.0017296] | Pa×s | [326.01; 556.12] |
|
| η | 0.0017296 | Pa×s | 326.01 | Joback Calculated Property |
| η | 0.0012587 | Pa×s | 364.36 | Joback Calculated Property |
| η | 0.0009732 | Pa×s | 402.71 | Joback Calculated Property |
| η | 0.0007868 | Pa×s | 441.06 | Joback Calculated Property |
| η | 0.0006582 | Pa×s | 479.42 | Joback Calculated Property |
| η | 0.0005653 | Pa×s | 517.77 | Joback Calculated Property |
| η | 0.0004959 | Pa×s | 556.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl trans-2-phenyl-1-cyclopropanecarboxylate.
Sources
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