- InChI
- InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3
- InChI Key
- LZFCLOXJWLIITN-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CCc1ccc(C(=O)OC2CCC2)cc1
- Molecular Weight1
- 204.26
- 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° | -23.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [1641.20; 1641.20] |
|
|
| Inp | 1641.20 | NIST | |
| Inp | 1641.20 | NIST | |
| Tboil | 615.80 | K | Joback Calculated Property |
| Tc | 841.18 | K | Joback Calculated Property |
| Tfus | 361.79 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.12; 516.43] | J/mol×K | [615.80; 841.18] |
|
| Cp,gas | 430.12 | J/mol×K | 615.80 | Joback Calculated Property |
| Cp,gas | 447.15 | J/mol×K | 653.36 | Joback Calculated Property |
| Cp,gas | 463.06 | J/mol×K | 690.93 | Joback Calculated Property |
| Cp,gas | 477.90 | J/mol×K | 728.49 | Joback Calculated Property |
| Cp,gas | 491.71 | J/mol×K | 766.05 | Joback Calculated Property |
| Cp,gas | 504.53 | J/mol×K | 803.62 | Joback Calculated Property |
| Cp,gas | 516.43 | J/mol×K | 841.18 | Joback Calculated Property |
| η | [0.0003054; 0.0018557] | Pa×s | [361.79; 615.80] |
|
| η | 0.0018557 | Pa×s | 361.79 | Joback Calculated Property |
| η | 0.0011736 | Pa×s | 404.12 | Joback Calculated Property |
| η | 0.0008095 | Pa×s | 446.46 | Joback Calculated Property |
| η | 0.0005955 | Pa×s | 488.79 | Joback Calculated Property |
| η | 0.0004601 | Pa×s | 531.13 | Joback Calculated Property |
| η | 0.0003692 | Pa×s | 573.46 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 615.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, cyclobutyl ester.
Sources
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