- 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° | -23.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 160.20 | 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 | 581.20 | kPa | Joback Calculated Property |
| Inp | 3316.65 | NIST | |
| Tboil | 658.67 | K | Relay (1.0) Calculated Property |
| Tc | 848.14 | K | Relay (1.0) Calculated Property |
| Tfus | 341.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1615.90; 1750.69] | J/mol×K | [984.97; 1231.24] | 
|
| Cp,gas | 1615.90 | J/mol×K | 984.97 | Joback Calculated Property |
| Cp,gas | 1643.25 | J/mol×K | 1026.01 | Joback Calculated Property |
| Cp,gas | 1668.49 | J/mol×K | 1067.06 | Joback Calculated Property |
| Cp,gas | 1691.73 | J/mol×K | 1108.10 | Joback Calculated Property |
| Cp,gas | 1713.09 | J/mol×K | 1149.15 | Joback Calculated Property |
| Cp,gas | 1732.71 | J/mol×K | 1190.19 | Joback Calculated Property |
| Cp,gas | 1750.69 | J/mol×K | 1231.24 | Joback Calculated Property |
| η | [0.0000144; 0.0004241] | Pa×s | [511.29; 984.97] |
|
| η | 0.0004241 | Pa×s | 511.29 | Joback Calculated Property |
| η | 0.0001655 | Pa×s | 590.24 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 669.18 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 748.13 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 827.08 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 906.02 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 984.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontanoic acid, methyl ester.
Sources
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