- InChI
- InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h23H,4-22H2,1-3H3
- InChI Key
- WHHCCCARNHOFCC-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O
CCC(C)C - Molecular Weight1
- 412.65
- 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 | 1.1798 | Relay (1.0) Calculated Property | |
| ΔfG° | -463.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 771.60 | kPa | Joback Calculated Property |
| Inp | [2788.00; 2788.00] |
|
|
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Tboil | 644.65 | K | Relay (1.0) Calculated Property |
| Tc | 819.23 | K | Relay (1.0) Calculated Property |
| Tfus | 290.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.465 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1262.56; 1364.13] | J/mol×K | [887.60; 1087.99] |
|
| Cp,gas | 1262.56 | J/mol×K | 887.60 | Joback Calculated Property |
| Cp,gas | 1283.13 | J/mol×K | 921.00 | Joback Calculated Property |
| Cp,gas | 1302.20 | J/mol×K | 954.40 | Joback Calculated Property |
| Cp,gas | 1319.79 | J/mol×K | 987.80 | Joback Calculated Property |
| Cp,gas | 1335.95 | J/mol×K | 1021.20 | Joback Calculated Property |
| Cp,gas | 1350.72 | J/mol×K | 1054.59 | Joback Calculated Property |
| Cp,gas | 1364.13 | J/mol×K | 1087.99 | Joback Calculated Property |
| η | [0.0000177; 0.0009393] | Pa×s | [441.17; 887.60] |
|
| η | 0.0009393 | Pa×s | 441.17 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 515.57 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 589.98 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 664.38 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 738.79 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 813.19 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 887.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hexadecyl 3-methylbutyl ester.
Sources
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