- InChI
- InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
- InChI Key
- IRIAEXORFWYRCZ-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCc1ccc
cc1 - Molecular Weight1
- 312.36
- CAS
- 85-68-7
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester
- 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
- 1-Benzyl 2-butyl phthalate
- BBP
- Benzyl butyl phthalated
- Benzyl n-butyl phthalate
- Benzyl-butylester kyseliny ftalove
- Butyl benzyl phthalate
- Butyl phenylmethyl 1,2-benzenedicarboxylate
- NCI-C54375
- NSC 71001
- O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate
- Palatinol BB
- Phthalic acid, benzyl butyl ester
- Santicizer 160
- Santicizer S 160
- Sicol
- Sicol 160
- Spatozoate
- Unimoll BB
- benzyl butyl 1,2-benzenedioate
- n-Butyl benzyl phthalate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.8416 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Aq. Solubility Prediction | |
| logPoct/wat | 4.000 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [378.40; 2358.90] |
|
|
| Inp | 2327.00 | NIST | |
| Inp | 2358.90 | NIST | |
| Inp | 2271.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Inp | 2327.00 | NIST | |
| Inp | Outlier 378.40 | NIST | |
| Inp | Outlier 378.40 | NIST | |
| Tboil | 642.60 | K | Relay (1.0) Calculated Property |
| Tc | 887.93 | K | Relay (1.0) Calculated Property |
| Tfus | 258.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.908 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.43; 790.77] | J/mol×K | [845.04; 1070.91] |
|
| Cp,gas | 724.43 | J/mol×K | 845.04 | Joback Calculated Property |
| Cp,gas | 738.52 | J/mol×K | 882.69 | Joback Calculated Property |
| Cp,gas | 751.35 | J/mol×K | 920.33 | Joback Calculated Property |
| Cp,gas | 762.96 | J/mol×K | 957.98 | Joback Calculated Property |
| Cp,gas | 773.37 | J/mol×K | 995.62 | Joback Calculated Property |
| Cp,gas | 782.63 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 790.77 | J/mol×K | 1070.91 | Joback Calculated Property |
| η | [0.0000643; 0.0005675] | Pa×s | [513.57; 845.04] |
|
| η | 0.0005675 | Pa×s | 513.57 | Joback Calculated Property |
| η | 0.0003309 | Pa×s | 568.81 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 624.06 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 679.30 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 734.55 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 789.79 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 845.04 | Joback Calculated Property |
| ΔvapH | [89.00; 109.80] | kJ/mol | [298.00; 466.00] |
|
| ΔvapH | 109.80 | kJ/mol | 298.00 | A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure |
| ΔvapH | 89.00 | kJ/mol | 466.00 | NIST |
Similar Compounds
Find more compounds similar to Benzyl butyl phthalate.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
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