- InChI
- InChI=1S/C13H18O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h7-8H,5-6H2,1-4H3
- InChI Key
- KCQHYTFTCZDNMC-UHFFFAOYSA-N
- Formula
- C13H18O5
- SMILES
- COC(=O)CCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 254.28
- 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 | 0.7771 | Relay (1.0) Calculated Property | |
| ΔfG° | -406.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.818 | Crippen Calculated Property | |
| McVol | 195.320 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1815.00 | NIST | |
| Tboil | 588.58 | K | Relay (1.0) Calculated Property |
| Tc | 786.51 | K | Relay (1.0) Calculated Property |
| Tfus | 338.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.18; 596.13] | J/mol×K | [682.01; 882.39] | 
|
| Cp,gas | 521.18 | J/mol×K | 682.01 | Joback Calculated Property |
| Cp,gas | 535.66 | J/mol×K | 715.41 | Joback Calculated Property |
| Cp,gas | 549.38 | J/mol×K | 748.80 | Joback Calculated Property |
| Cp,gas | 562.32 | J/mol×K | 782.20 | Joback Calculated Property |
| Cp,gas | 574.45 | J/mol×K | 815.59 | Joback Calculated Property |
| Cp,gas | 585.73 | J/mol×K | 848.99 | Joback Calculated Property |
| Cp,gas | 596.13 | J/mol×K | 882.39 | Joback Calculated Property |
| η | [0.0000797; 0.0004555] | Pa×s | [439.10; 682.01] |
|
| η | 0.0004555 | Pa×s | 439.10 | Joback Calculated Property |
| η | 0.0003014 | Pa×s | 479.59 | Joback Calculated Property |
| η | 0.0002126 | Pa×s | 520.07 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 560.56 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 601.04 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 641.52 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 682.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester.
Sources
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