- InChI
- InChI=1S/C13H18O3/c1-9(2)8-15-13(14)16-12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3
- InChI Key
- AGSCPVBGDQAKMG-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- Cc1ccc(C)c(OC(=O)OCC(C)C)c1
- Molecular Weight1
- 222.28
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6743 | Relay (... Calculated Property | |
| ΔfG° | -189.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.94 | Relay (... Calculated Property | |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | 1546.00 | NIST | |
| Tboil | 549.13 | K | Relay (... Calculated Property |
| Tc | 729.15 | K | Relay (... Calculated Property |
| Tfus | 286.21 | K | Relay (... Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.38; 549.64] | J/mol×K | [631.75; 838.47] | 
|
| Cp,gas | 469.38 | J/mol×K | 631.75 | Joback Calculated Property |
| Cp,gas | 484.79 | J/mol×K | 666.20 | Joback Calculated Property |
| Cp,gas | 499.39 | J/mol×K | 700.66 | Joback Calculated Property |
| Cp,gas | 513.17 | J/mol×K | 735.11 | Joback Calculated Property |
| Cp,gas | 526.14 | J/mol×K | 769.57 | Joback Calculated Property |
| Cp,gas | 538.30 | J/mol×K | 804.02 | Joback Calculated Property |
| Cp,gas | 549.64 | J/mol×K | 838.47 | Joback Calculated Property |
| η | [0.0001207; 0.0011736] | Pa×s | [367.12; 631.75] |
|
| η | 0.0011736 | Pa×s | 367.12 | Joback Calculated Property |
| η | 0.0006555 | Pa×s | 411.23 | Joback Calculated Property |
| η | 0.0004099 | Pa×s | 455.33 | Joback Calculated Property |
| η | 0.0002784 | Pa×s | 499.44 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 543.54 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 587.64 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 631.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethylphenol, isoBOC.
Sources
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