- InChI
- InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-27-25(26)22-17-16-21-24-19-14-13-15-20-24/h13-15,19-20H,2-12,16-18,21-23H2,1H3
- InChI Key
- USGFNSBZBPBSML-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCc1cccc
c1 - Molecular Weight1
- 374.60
- 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 | 1.0811 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.644 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 928.37 | kPa | Joback Calculated Property |
| Inp | [2819.00; 2819.00] |
|
|
| Inp | 2819.00 | NIST | |
| Inp | 2819.00 | NIST | |
| Tboil | 662.16 | K | Relay (1.0) Calculated Property |
| Tc | 856.35 | K | Relay (1.0) Calculated Property |
| Tfus | 288.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.325 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1120.93; 1221.06] | J/mol×K | [856.50; 1051.05] |
|
| Cp,gas | 1120.93 | J/mol×K | 856.50 | Joback Calculated Property |
| Cp,gas | 1140.57 | J/mol×K | 888.93 | Joback Calculated Property |
| Cp,gas | 1158.95 | J/mol×K | 921.35 | Joback Calculated Property |
| Cp,gas | 1176.14 | J/mol×K | 953.78 | Joback Calculated Property |
| Cp,gas | 1192.19 | J/mol×K | 986.20 | Joback Calculated Property |
| Cp,gas | 1207.15 | J/mol×K | 1018.63 | Joback Calculated Property |
| Cp,gas | 1221.06 | J/mol×K | 1051.05 | Joback Calculated Property |
| η | [0.0000324; 0.0009789] | Pa×s | [440.26; 856.50] |
|
| η | 0.0009789 | Pa×s | 440.26 | Joback Calculated Property |
| η | 0.0003768 | Pa×s | 509.63 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 579.01 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 648.38 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 717.75 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 787.13 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 856.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, tetradecyl ester.
Sources
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