- InChI
- InChI=1S/C28H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(22-24-27)20-6-4-2/h21-24H,3-20,25H2,1-2H3
- InChI Key
- VRWCPSOWOJJUQU-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C
CCC)cc1 - Molecular Weight1
- 416.68
- 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 | 1.2192 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.057 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 778.08 | kPa | Joback Calculated Property |
| Inp | 2892.70 | NIST | |
| Tboil | 680.34 | K | Relay (1.0) Calculated Property |
| Tc | 878.76 | K | Relay (1.0) Calculated Property |
| Tfus | 293.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1310.55; 1413.64] | J/mol×K | [930.12; 1139.01] | 
|
| Cp,gas | 1310.55 | J/mol×K | 930.12 | Joback Calculated Property |
| Cp,gas | 1331.15 | J/mol×K | 964.94 | Joback Calculated Property |
| Cp,gas | 1350.29 | J/mol×K | 999.75 | Joback Calculated Property |
| Cp,gas | 1368.04 | J/mol×K | 1034.57 | Joback Calculated Property |
| Cp,gas | 1384.47 | J/mol×K | 1069.38 | Joback Calculated Property |
| Cp,gas | 1399.65 | J/mol×K | 1104.20 | Joback Calculated Property |
| Cp,gas | 1413.64 | J/mol×K | 1139.01 | Joback Calculated Property |
| η | [0.0000210; 0.0005431] | Pa×s | [486.59; 930.12] |
|
| η | 0.0005431 | Pa×s | 486.59 | Joback Calculated Property |
| η | 0.0002209 | Pa×s | 560.51 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 634.43 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 708.35 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 782.28 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 856.20 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 930.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, heptadecyl ester.
Sources
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