- InChI
- InChI=1S/C48H78O12/c1-7-13-19-25-31-37(49)55-43-44(56-38(50)32-26-20-14-8-2)46(58-40(52)34-28-22-16-10-4)48(60-42(54)36-30-24-18-12-6)47(59-41(53)35-29-23-17-11-5)45(43)57-39(51)33-27-21-15-9-3/h7-36H2,1-6H3
- InChI Key
- XSMGMVIWGWBNBA-UHFFFAOYSA-N
- Formula
- C48H78O12
- SMILES
-
CCCCCCC(=O)Oc1c(OC(=O)CCCCCC)c
(OC(=O)CCCCCC)c(OC(=O)CCCCCC)c (OC(=O)CCCCCC)c1OC(=O)CCCCCC - Molecular Weight1
- 847.13
- CAS
- 65201-70-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | -985.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2323.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 128.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 182.96 | kJ/mol | Joback Calculated Property |
| log10WS | -15.91 | Crippen Calculated Property | |
| logPoct/wat | 12.941 | Crippen Calculated Property | |
| McVol | 708.060 | ml/mol | McGowan Calculated Property |
| Pc | 356.81 | kPa | Joback Calculated Property |
| S°solid,1 bar | 1530.10 | J/mol×K | NIST |
| Tboil | 1806.96 | K | Joback Calculated Property |
| Tc | 3795.33 | K | Joback Calculated Property |
| Tfus | 1152.70 | K | Joback Calculated Property |
| Vc | 2.760 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-3409.43; 2317.23] | J/mol×K | [1806.96; 3795.33] | 
|
| Cp,gas | 2317.23 | J/mol×K | 1806.96 | Joback Calculated Property |
| Cp,gas | 1857.95 | J/mol×K | 2138.36 | Joback Calculated Property |
| Cp,gas | 1177.90 | J/mol×K | 2469.75 | Joback Calculated Property |
| Cp,gas | 294.12 | J/mol×K | 2801.15 | Joback Calculated Property |
| Cp,gas | -776.38 | J/mol×K | 3132.54 | Joback Calculated Property |
| Cp,gas | -2016.57 | J/mol×K | 3463.94 | Joback Calculated Property |
| Cp,gas | -3409.43 | J/mol×K | 3795.33 | Joback Calculated Property |
| Cp,solid | [1500.00; 1505.00] | J/mol×K | [298.15; 300.00] |
|
| Cp,solid | 1505.00 | J/mol×K | 298.15 | NIST |
| Cp,solid | 1500.00 | J/mol×K | 300.00 | NIST |
| η | [0.0000001; 0.0000010] | Pa×s | [1152.70; 1806.96] |
|
| η | 0.0000010 | Pa×s | 1152.70 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 1261.74 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 1370.79 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1479.83 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1588.87 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1697.92 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 1806.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene-hexa-n-heptanoate.
Sources
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