- InChI
- InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-15-21-25-23(24)20-16-19-22-17-13-12-14-18-22/h12-14,17-18H,2-11,15-16,19-21H2,1H3
- InChI Key
- SUTKPZUBWYBYIE-UHFFFAOYSA-N
- Formula
- C23H38O2
- SMILES
- CCCCCCCCCCCCCOC(=O)CCCc1ccccc1
- Molecular Weight1
- 346.55
- 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 | 1.0098 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.864 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1047.33 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 647.74 | K | Relay (1.0) Calculated Property |
| Tc | 844.20 | K | Relay (1.0) Calculated Property |
| Tfus | 288.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.48; 1095.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.65150e+01 | |||
| Coefficient B | 2.05512e+00 | |||
| Coefficient C | -1.16400e-03 | |||
| Coefficient D | 2.30900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 665.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 755.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 833.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 902.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 962.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1014.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1058.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1095.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012542; 0.0000761] | Pa×s | [417.72; 700.50] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.36220e+01 | |||
| Coefficient B | 2.89926e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 417.72 | |||
| Temperature range, max. | 700.50 | |||
| η | 0.0012542 | Pa×s | 417.72 | Calculated Property |
| η | 0.0007718 | Pa×s | 449.14 | Calculated Property |
| η | 0.0005061 | Pa×s | 480.56 | Calculated Property |
| η | 0.0003495 | Pa×s | 511.98 | Calculated Property |
| η | 0.0002519 | Pa×s | 543.40 | Calculated Property |
| η | 0.0001882 | Pa×s | 574.82 | Calculated Property |
| η | 0.0001449 | Pa×s | 606.24 | Calculated Property |
| η | 0.0001145 | Pa×s | 637.66 | Calculated Property |
| η | 0.0000925 | Pa×s | 669.08 | Calculated Property |
| η | 0.0000761 | Pa×s | 700.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, tridecyl ester.
Sources
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