- InChI
- InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3
- InChI Key
- BIRUBGLRQLAEFF-UHFFFAOYSA-N
- Formula
- C31H62O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(=O)OC - Molecular Weight1
- 466.82
- CAS
- 629-83-4
- Other Names
-
- Methyl melissate
- Methyl melissicate
- Methyl triacontanoate
- methyl triacontanate
- 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 | 1.3489 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 161.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.102 | Crippen Calculated Property | |
| McVol | 455.090 | ml/mol | McGowan Calculated Property |
| Pc | 569.87 | kPa | Joback Calculated Property |
| Inp | 3316.65 | NIST | |
| Tboil | 658.67 | K | Relay (1.0) Calculated Property |
| Tc | 851.02 | K | Relay (1.0) Calculated Property |
| Tfus | 336.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1604.32; 1737.19] | J/mol×K | [967.10; 1206.35] | 
|
| Cp,gas | 1604.32 | J/mol×K | 967.10 | Joback Calculated Property |
| Cp,gas | 1631.33 | J/mol×K | 1006.97 | Joback Calculated Property |
| Cp,gas | 1656.24 | J/mol×K | 1046.85 | Joback Calculated Property |
| Cp,gas | 1679.17 | J/mol×K | 1086.72 | Joback Calculated Property |
| Cp,gas | 1700.22 | J/mol×K | 1126.60 | Joback Calculated Property |
| Cp,gas | 1719.53 | J/mol×K | 1166.47 | Joback Calculated Property |
| Cp,gas | 1737.19 | J/mol×K | 1206.35 | Joback Calculated Property |
| η | [0.0000125; 0.0005448] | Pa×s | [481.46; 967.10] |
|
| η | 0.0005448 | Pa×s | 481.46 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 562.40 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 643.34 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 724.28 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 805.22 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 886.16 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 967.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontanoic acid, methyl ester.
Sources
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