- InChI
- InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-31-29(30)26-21-20-25-28-23-18-17-19-24-28/h17-19,23-24H,2-16,20-22,25-27H2,1H3
- InChI Key
- DVLVBBBQVOVUQF-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCc1
ccccc1 - Molecular Weight1
- 430.71
- 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 | 1.2215 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.204 | Crippen Calculated Property | |
| McVol | 403.150 | ml/mol | McGowan Calculated Property |
| Pc | 744.07 | kPa | Joback Calculated Property |
| Inp | [3237.00; 3237.00] |
|
|
| Inp | 3237.00 | NIST | |
| Inp | 3237.00 | NIST | |
| Tboil | 687.84 | K | Relay (1.0) Calculated Property |
| Tc | 881.87 | K | Relay (1.0) Calculated Property |
| Tfus | 299.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1374.78; 1480.36] | J/mol×K | [948.02; 1162.09] |
|
| Cp,gas | 1374.78 | J/mol×K | 948.02 | Joback Calculated Property |
| Cp,gas | 1395.91 | J/mol×K | 983.70 | Joback Calculated Property |
| Cp,gas | 1415.51 | J/mol×K | 1019.38 | Joback Calculated Property |
| Cp,gas | 1433.68 | J/mol×K | 1055.06 | Joback Calculated Property |
| Cp,gas | 1450.49 | J/mol×K | 1090.73 | Joback Calculated Property |
| Cp,gas | 1466.02 | J/mol×K | 1126.41 | Joback Calculated Property |
| Cp,gas | 1480.36 | J/mol×K | 1162.09 | Joback Calculated Property |
| η | [0.0000177; 0.0005752] | Pa×s | [485.34; 948.02] |
|
| η | 0.0005752 | Pa×s | 485.34 | Joback Calculated Property |
| η | 0.0002162 | Pa×s | 562.45 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 639.57 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 716.68 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 793.79 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 870.91 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 948.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, octadecyl ester.
Sources
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