- InChI
- InChI=1S/C12H14O2/c1-12(8-10(12)11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-,12+/m1/s1
- InChI Key
- OTRGRBMQMYBGDZ-PWSUYJOCSA-N
- Formula
- C12H14O2
- SMILES
- COC(=O)C1CC1(C)c1ccccc1
- Molecular Weight1
- 190.24
- 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.
- 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° | -23.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 2.137 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Inp | 1300.00 | NIST | |
| Tboil | 579.24 | K | Joback Calculated Property |
| Tc | 809.21 | K | Joback Calculated Property |
| Tfus | 361.18 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.68; 462.42] | J/mol×K | [579.24; 809.21] | 
|
| Cp,gas | 379.68 | J/mol×K | 579.24 | Joback Calculated Property |
| Cp,gas | 395.68 | J/mol×K | 617.57 | Joback Calculated Property |
| Cp,gas | 410.58 | J/mol×K | 655.90 | Joback Calculated Property |
| Cp,gas | 424.55 | J/mol×K | 694.22 | Joback Calculated Property |
| Cp,gas | 437.74 | J/mol×K | 732.55 | Joback Calculated Property |
| Cp,gas | 450.31 | J/mol×K | 770.88 | Joback Calculated Property |
| Cp,gas | 462.42 | J/mol×K | 809.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Methylcyclopropanecarboxylate, 2-methyl-2-phenyl.
Sources
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