- InChI
- InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-26(28)20-21-27(29)31-24-22-25(2)3/h25H,4-24H2,1-3H3
- InChI Key
- XHZUYCSKZBMVPH-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O
)OCCC(C)C - Molecular Weight1
- 440.70
- 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 | 1.2501 | Relay (1.0) Calculated Property | |
| ΔfG° | -446.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1212.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 695.45 | kPa | Joback Calculated Property |
| Inp | [2999.00; 2999.00] |
|
|
| Inp | 2999.00 | NIST | |
| Inp | 2999.00 | NIST | |
| Tboil | 657.75 | K | Relay (1.0) Calculated Property |
| Tc | 832.53 | K | Relay (1.0) Calculated Property |
| Tfus | 297.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1390.45; 1494.38] | J/mol×K | [933.36; 1149.45] |
|
| Cp,gas | 1390.45 | J/mol×K | 933.36 | Joback Calculated Property |
| Cp,gas | 1412.07 | J/mol×K | 969.38 | Joback Calculated Property |
| Cp,gas | 1431.90 | J/mol×K | 1005.39 | Joback Calculated Property |
| Cp,gas | 1449.99 | J/mol×K | 1041.41 | Joback Calculated Property |
| Cp,gas | 1466.39 | J/mol×K | 1077.42 | Joback Calculated Property |
| Cp,gas | 1481.17 | J/mol×K | 1113.44 | Joback Calculated Property |
| Cp,gas | 1494.38 | J/mol×K | 1149.45 | Joback Calculated Property |
| η | [0.0000128; 0.0006891] | Pa×s | [463.71; 933.36] |
|
| η | 0.0006891 | Pa×s | 463.71 | Joback Calculated Property |
| η | 0.0002197 | Pa×s | 541.99 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 620.26 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 698.53 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 776.81 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 855.08 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 933.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbutyl octadecyl ester.
Sources
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