- InChI
- InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
- InChI Key
- YZBOVSFWWNVKRJ-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- CCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 222.24
- CAS
- 131-70-4
- Other Names
-
- Phthalic acid, monobutyl ester
- Butyl hydrogen phthalate
- Monobutyl phthalate
- Mono-n-butyl phthalate
- MBP
- 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° | -346.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.342 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | [1520.00; 1520.00] |
|
|
| Inp | 1520.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Tboil | 727.96 | K | Joback Calculated Property |
| Tc | 929.50 | K | Joback Calculated Property |
| Tfus | 446.85 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.63; 518.21] | J/mol×K | [727.96; 929.50] |
|
| Cp,gas | 462.63 | J/mol×K | 727.96 | Joback Calculated Property |
| Cp,gas | 473.63 | J/mol×K | 761.55 | Joback Calculated Property |
| Cp,gas | 483.92 | J/mol×K | 795.14 | Joback Calculated Property |
| Cp,gas | 493.50 | J/mol×K | 828.73 | Joback Calculated Property |
| Cp,gas | 502.40 | J/mol×K | 862.32 | Joback Calculated Property |
| Cp,gas | 510.63 | J/mol×K | 895.91 | Joback Calculated Property |
| Cp,gas | 518.21 | J/mol×K | 929.50 | Joback Calculated Property |
| η | [0.0000419; 0.0010761] | Pa×s | [446.85; 727.96] |
|
| η | 0.0010761 | Pa×s | 446.85 | Joback Calculated Property |
| η | 0.0004846 | Pa×s | 493.70 | Joback Calculated Property |
| η | 0.0002506 | Pa×s | 540.55 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 587.40 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 634.26 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 681.11 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 727.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, monobutyl ester.
Sources
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