- InChI
- InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1
- InChI Key
- SRGUIJLJERBBCM-WDEREUQCSA-N
- Formula
- C12H14O2
- SMILES
- CCOC(=O)C1CC1c1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 946-39-4
- Other Names
-
- trans-2-Phenylcyclopropanecarboxylic acid ethyl ester
- Ethyl trans-2-phenylcyclopropanecarboxylate
- Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, trans-
- Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
- 1R,2R)-rel-2-Phenylcyclopropanecarboxylic acid ethyl ester
- ω : Acentric Factor.
- 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).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4501 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.87 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 96.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 70.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Tboil | 516.46 | K | Relay (1.0) Calculated Property |
| Tc | 759.90 | K | Relay (1.0) Calculated Property |
| Tfus | 265.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.25; 464.28] | J/mol×K | [579.00; 799.97] | 
|
| Cp,gas | 381.25 | J/mol×K | 579.00 | Joback Calculated Property |
| Cp,gas | 397.58 | J/mol×K | 615.83 | Joback Calculated Property |
| Cp,gas | 412.85 | J/mol×K | 652.66 | Joback Calculated Property |
| Cp,gas | 427.10 | J/mol×K | 689.48 | Joback Calculated Property |
| Cp,gas | 440.39 | J/mol×K | 726.31 | Joback Calculated Property |
| Cp,gas | 452.77 | J/mol×K | 763.14 | Joback Calculated Property |
| Cp,gas | 464.28 | J/mol×K | 799.97 | Joback Calculated Property |
| η | [0.0004813; 0.0018290] | Pa×s | [337.28; 579.00] |
|
| η | 0.0018290 | Pa×s | 337.28 | Joback Calculated Property |
| η | 0.0013003 | Pa×s | 377.57 | Joback Calculated Property |
| η | 0.0009873 | Pa×s | 417.85 | Joback Calculated Property |
| η | 0.0007868 | Pa×s | 458.14 | Joback Calculated Property |
| η | 0.0006505 | Pa×s | 498.43 | Joback Calculated Property |
| η | 0.0005533 | Pa×s | 538.71 | Joback Calculated Property |
| η | 0.0004813 | Pa×s | 579.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-1-Carbethoxy-2-phenylcyclopropane.
Sources
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