- InChI
- InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-6-4-2/h4H,2-3,5-25H2,1H3
- InChI Key
- JWDPNUJKTJKLQU-UHFFFAOYSA-N
- Formula
- C27H50O4
- SMILES
-
C=CCCCOC(=O)CCC(=O)OCCCCCCCCCC
CCCCCCCC - Molecular Weight1
- 438.68
- 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 | 1.2430 | Relay (1.0) Calculated Property | |
| ΔfG° | -356.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1109.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.081 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 708.09 | kPa | Joback Calculated Property |
| Inp | [3023.00; 3023.00] |
|
|
| Inp | 3023.00 | NIST | |
| Inp | 3023.00 | NIST | |
| Tboil | 683.53 | K | Relay (1.0) Calculated Property |
| Tc | 841.50 | K | Relay (1.0) Calculated Property |
| Tfus | 302.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.12; 1399.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.61720e+01 | |||
| Coefficient B | 2.43922e+00 | |||
| Coefficient C | -1.27870e-03 | |||
| Coefficient D | 2.13300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 601.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 738.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 862.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 972.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1071.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1157.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1233.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1298.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1353.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1399.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005818; 0.0000281] | Pa×s | [476.95; 801.93] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.49282e+01 | |||
| Coefficient B | 3.56704e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 476.95 | |||
| Temperature range, max. | 801.93 | |||
| η | 0.0005818 | Pa×s | 476.95 | Calculated Property |
| η | 0.0003437 | Pa×s | 513.06 | Calculated Property |
| η | 0.0002176 | Pa×s | 549.17 | Calculated Property |
| η | 0.0001458 | Pa×s | 585.28 | Calculated Property |
| η | 0.0001023 | Pa×s | 621.39 | Calculated Property |
| η | 0.0000746 | Pa×s | 657.50 | Calculated Property |
| η | 0.0000563 | Pa×s | 693.60 | Calculated Property |
| η | 0.0000436 | Pa×s | 729.71 | Calculated Property |
| η | 0.0000346 | Pa×s | 765.82 | Calculated Property |
| η | 0.0000281 | Pa×s | 801.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, octadecyl pent-4-enyl ester.
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