![Spiro[4.5]decane, 7-hexadecyl-](/cid/66-874-9/Spiro-4-5-decane-7-hexadecyl.png "Spiro[4.5]decane, 7-hexadecyl-")
- InChI
- InChI=1S/C26H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-23-26(24-25)21-16-17-22-26/h25H,2-24H2,1H3
- InChI Key
- BNDDTWKJQMCKBA-UHFFFAOYSA-N
- Formula
- C26H50
- SMILES
-
CCCCCCCCCCCCCCCCC1CCCC2(CCCC2)
C1 - Molecular Weight1
- 362.69
- CAS
- 2307-06-4
- Other Names
-
- 7-Hexadecylspiro[4.5]decane
- 7-n-Hexadecylspiro[4.5]decane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.8502 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -16786.50 ± 2.20 | kJ/mol | NIST |
| ΔfG° | 235.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -590.40 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 44.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.608 | Crippen Calculated Property | |
| McVol | 355.480 | ml/mol | McGowan Calculated Property |
| Pc | 913.29 | kPa | Joback Calculated Property |
| Tboil | 663.49 | K | Relay (1.0) Calculated Property |
| Tc | 858.75 | K | Relay (1.0) Calculated Property |
| Tfus | 257.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.329 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.66; 1334.62] | 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 | -1.91705e+02 | |||
| Coefficient B | 3.02912e+00 | |||
| Coefficient C | -2.17800e-03 | |||
| Coefficient D | 6.75200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 486.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 637.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 768.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 883.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 983.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1070.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1146.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1214.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1276.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1334.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [442.30; 775.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.19832e+01 | |||
| Coefficient B | -5.17298e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 442.30 | |||
| Temperature range, max. | 775.36 | |||
| Pvap | 1.33 | kPa | 442.30 | Calculated Property |
| Pvap | 3.29 | kPa | 479.31 | Calculated Property |
| Pvap | 7.13 | kPa | 516.31 | Calculated Property |
| Pvap | 13.93 | kPa | 553.32 | Calculated Property |
| Pvap | 25.04 | kPa | 590.33 | Calculated Property |
| Pvap | 41.98 | kPa | 627.33 | Calculated Property |
| Pvap | 66.46 | kPa | 664.34 | Calculated Property |
| Pvap | 100.23 | kPa | 701.35 | Calculated Property |
| Pvap | 145.05 | kPa | 738.35 | Calculated Property |
| Pvap | 202.65 | kPa | 775.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Spiro[4.5]decane, 7-hexadecyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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