- InChI
- InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3
- InChI Key
- ABBWKQQUUQIENF-UHFFFAOYSA-N
- Formula
- C13H18O4
- SMILES
- CCCCOC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 238.28
- Other Names
-
- Benzoi acid, 3,4-dimethoxy, n-butyl 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).
- 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 | 0.7662 | Relay (... Calculated Property | |
| ΔfG° | -292.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -3.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 189.450 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | 1917.00 | NIST | |
| Tboil | 584.45 | K | Relay (... Calculated Property |
| Tc | 769.70 | K | Relay (... Calculated Property |
| Tfus | 315.01 | K | Relay (... Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.34; 572.64] | J/mol×K | [654.61; 855.69] | 
|
| Cp,gas | 495.34 | J/mol×K | 654.61 | Joback Calculated Property |
| Cp,gas | 510.17 | J/mol×K | 688.12 | Joback Calculated Property |
| Cp,gas | 524.25 | J/mol×K | 721.64 | Joback Calculated Property |
| Cp,gas | 537.54 | J/mol×K | 755.15 | Joback Calculated Property |
| Cp,gas | 550.05 | J/mol×K | 788.67 | Joback Calculated Property |
| Cp,gas | 561.75 | J/mol×K | 822.18 | Joback Calculated Property |
| Cp,gas | 572.64 | J/mol×K | 855.69 | Joback Calculated Property |
| η | [0.0001024; 0.0007305] | Pa×s | [404.35; 654.61] |
|
| η | 0.0007305 | Pa×s | 404.35 | Joback Calculated Property |
| η | 0.0004518 | Pa×s | 446.06 | Joback Calculated Property |
| η | 0.0003034 | Pa×s | 487.77 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 529.48 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 571.19 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 612.90 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 654.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Butyl 3,4-dimethoxybenzoate.
Sources
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