- InChI
- InChI=1S/C40H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32H,3-11,13,15-17,19,21-23,25,27-29,31,33-39H2,1-2H3/b14-12-,20-18-,26-24-,32-30-
- InChI Key
- GVQSBNGRZGAXTP-NBORNWBVSA-N
- Formula
- C40H72O2
- SMILES
-
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
CCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 585.00
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 372.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 102.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.62 | kJ/mol | Joback Calculated Property |
| log10WS | -14.84 | Crippen Calculated Property | |
| logPoct/wat | 13.717 | Crippen Calculated Property | |
| McVol | 564.700 | ml/mol | McGowan Calculated Property |
| Pc | 433.31 | kPa | Joback Calculated Property |
| Inp | [4066.48; 4066.48] |
|
|
| Inp | 4066.48 | NIST | |
| Inp | 4066.48 | NIST | |
| Tboil | 1207.53 | K | Joback Calculated Property |
| Tc | 1602.77 | K | Joback Calculated Property |
| Tfus | 592.40 | K | Joback Calculated Property |
| Vc | 2.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2124.37; 2396.28] | J/mol×K | [1207.53; 1602.77] |
|
| Cp,gas | 2124.37 | J/mol×K | 1207.53 | Joback Calculated Property |
| Cp,gas | 2168.52 | J/mol×K | 1273.40 | Joback Calculated Property |
| Cp,gas | 2211.78 | J/mol×K | 1339.28 | Joback Calculated Property |
| Cp,gas | 2255.18 | J/mol×K | 1405.15 | Joback Calculated Property |
| Cp,gas | 2299.72 | J/mol×K | 1471.02 | Joback Calculated Property |
| Cp,gas | 2346.41 | J/mol×K | 1536.89 | Joback Calculated Property |
| Cp,gas | 2396.28 | J/mol×K | 1602.77 | Joback Calculated Property |
| η | [0.0000020; 0.0000854] | Pa×s | [592.40; 1207.53] |
|
| η | 0.0000854 | Pa×s | 592.40 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 694.92 | Joback Calculated Property |
| η | 0.0000129 | Pa×s | 797.44 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 899.96 | Joback Calculated Property |
| η | 0.0000042 | Pa×s | 1002.49 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 1105.01 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 1207.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid icosyl ester, Z,Z,Z,Z.
Sources
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