- InChI
- InChI=1S/C18H28O2/c1-3-5-7-8-9-15-20-18(19)17-13-11-16(12-14-17)10-6-4-2/h11-14H,3-10,15H2,1-2H3
- InChI Key
- NJLHIWNIWNPENN-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 276.42
- 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 | 0.8621 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.156 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | [2118.00; 2118.00] |
|
|
| Inp | 2118.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Tboil | 612.75 | K | Relay (1.0) Calculated Property |
| Tc | 803.53 | K | Relay (1.0) Calculated Property |
| Tfus | 255.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.96; 834.51] | 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 | -7.67100e+00 | |||
| Coefficient B | 1.52064e+00 | |||
| Coefficient C | -8.24960e-04 | |||
| Coefficient D | 1.46500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 348.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 509.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 576.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 636.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 689.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 734.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 773.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 806.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 834.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016598; 0.0001295] | Pa×s | [373.89; 624.36] |
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 | -1.27591e+01 | |||
| Coefficient B | 2.37720e+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. | 373.89 | |||
| Temperature range, max. | 624.36 | |||
| η | 0.0016598 | Pa×s | 373.89 | Calculated Property |
| η | 0.0010685 | Pa×s | 401.72 | Calculated Property |
| η | 0.0007282 | Pa×s | 429.55 | Calculated Property |
| η | 0.0005200 | Pa×s | 457.38 | Calculated Property |
| η | 0.0003860 | Pa×s | 485.21 | Calculated Property |
| η | 0.0002959 | Pa×s | 513.04 | Calculated Property |
| η | 0.0002331 | Pa×s | 540.87 | Calculated Property |
| η | 0.0001880 | Pa×s | 568.70 | Calculated Property |
| η | 0.0001547 | Pa×s | 596.53 | Calculated Property |
| η | 0.0001295 | Pa×s | 624.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, heptyl ester.
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