- InChI
- InChI=1S/C31H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3,(H,32,33)
- InChI Key
- ONLMUMPTRGEPCH-UHFFFAOYSA-N
- Formula
- C31H62O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C(=O)O - Molecular Weight1
- 466.82
- CAS
- 38232-01-8
- 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).
- 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 | 1.5643 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 184.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.404 | Crippen Calculated Property | |
| McVol | 455.090 | ml/mol | McGowan Calculated Property |
| Pc | 612.99 | kPa | Joback Calculated Property |
| Tboil | 683.58 | K | Relay (1.0) Calculated Property |
| Tc | 884.68 | K | Relay (1.0) Calculated Property |
| Tfus | 374.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.784 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1661.91; 1807.76] | J/mol×K | [1054.73; 1352.18] | 
|
| Cp,gas | 1661.91 | J/mol×K | 1054.73 | Joback Calculated Property |
| Cp,gas | 1691.32 | J/mol×K | 1104.31 | Joback Calculated Property |
| Cp,gas | 1718.35 | J/mol×K | 1153.88 | Joback Calculated Property |
| Cp,gas | 1743.24 | J/mol×K | 1203.46 | Joback Calculated Property |
| Cp,gas | 1766.27 | J/mol×K | 1253.03 | Joback Calculated Property |
| Cp,gas | 1787.69 | J/mol×K | 1302.61 | Joback Calculated Property |
| Cp,gas | 1807.76 | J/mol×K | 1352.18 | Joback Calculated Property |
| η | [0.0000022; 0.0002024] | Pa×s | [549.88; 1054.73] |
|
| η | 0.0002024 | Pa×s | 549.88 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 634.02 | Joback Calculated Property |
| η | 0.0000221 | Pa×s | 718.16 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 802.30 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 886.45 | Joback Calculated Property |
| η | 0.0000034 | Pa×s | 970.59 | Joback Calculated Property |
| η | 0.0000022 | Pa×s | 1054.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Melissic acid.
Sources
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