Chemical Properties of 1,3,5-tris-(Hydroxymethyl)cyclohexane, triacetate

InChI

InChI=1S/C15H24O6/c1-10(16)19-7-13-4-14(8-20-11(2)17)6-15(5-13)9-21-12(3)18/h13-15H,4-9H2,1-3H3

InChI Key

BSUAWZLOSIPEAI-UHFFFAOYSA-N

Formula

C15H24O6

SMILES

CC(=O)OCC1CC(COC(C)=O)CC(COC(C)=O)C1

Molecular Weight¹

300.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.11; 815.91]	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			1.17530e+01
Coefficient B			1.33356e+00
Coefficient C			-4.78600e-04
Coefficient D			-5.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.11	J/mol×K	273.00	Calculated Property
Cp,gas	421.39	J/mol×K	353.78	Calculated Property
Cp,gas	496.71	J/mol×K	434.56	Calculated Property
Cp,gas	564.93	J/mol×K	515.33	Calculated Property
Cp,gas	625.87	J/mol×K	596.11	Calculated Property
Cp,gas	679.39	J/mol×K	676.89	Calculated Property
Cp,gas	725.31	J/mol×K	757.67	Calculated Property
Cp,gas	763.48	J/mol×K	838.44	Calculated Property
Cp,gas	793.73	J/mol×K	919.22	Calculated Property
Cp,gas	815.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019554; 0.0001371]	Pa×s	[384.70; 647.22]	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			-1.27900e+01
Coefficient B			2.52089e+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.			384.70
Temperature range, max.			647.22
η	0.0019554	Pa×s	384.70	Calculated Property
η	0.0012321	Pa×s	413.87	Calculated Property
η	0.0008251	Pa×s	443.04	Calculated Property
η	0.0005806	Pa×s	472.21	Calculated Property
η	0.0004256	Pa×s	501.37	Calculated Property
η	0.0003228	Pa×s	530.54	Calculated Property
η	0.0002520	Pa×s	559.71	Calculated Property
η	0.0002016	Pa×s	588.88	Calculated Property
η	0.0001647	Pa×s	618.05	Calculated Property
η	0.0001371	Pa×s	647.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-tris-(Hydroxymethyl)cyclohexane, triacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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