Chemical Properties of trans-Cyclohexane-1,4-dimethanol, diacetate (CAS 10412-78-9)

InChI

InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3

InChI Key

NNCDHEJIRBOLSS-UHFFFAOYSA-N

Formula

C12H20O4

SMILES

CC(=O)OCC1CCC(COC(C)=O)CC1

Molecular Weight¹

228.28

CAS

10412-78-9

Other Names

• 1,4-Cyclohexanedimethanol, trans, diacetate
• CHDM diacetate derivative, trans isomer
• Trans-1,4-cyclohexanedimethanol, diacetate
• trans-(4-[(Acetyloxy)methyl]cyclohexyl)methyl acetate

• 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).
• 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	[256.87; 646.37]	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			-1.68680e+01
Coefficient B			1.12984e+00
Coefficient C			-4.65400e-04
Coefficient D			-1.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.87	J/mol×K	273.00	Calculated Property
Cp,gas	324.54	J/mol×K	353.78	Calculated Property
Cp,gas	386.13	J/mol×K	434.56	Calculated Property
Cp,gas	441.62	J/mol×K	515.33	Calculated Property
Cp,gas	491.01	J/mol×K	596.11	Calculated Property
Cp,gas	534.30	J/mol×K	676.89	Calculated Property
Cp,gas	571.49	J/mol×K	757.67	Calculated Property
Cp,gas	602.56	J/mol×K	838.44	Calculated Property
Cp,gas	627.53	J/mol×K	919.22	Calculated Property
Cp,gas	646.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039763; 0.0002008]	Pa×s	[312.80; 564.12]	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			-1.22294e+01
Coefficient B			2.09638e+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.			312.80
Temperature range, max.			564.12
η	0.0039763	Pa×s	312.80	Calculated Property
η	0.0022958	Pa×s	340.72	Calculated Property
η	0.0014405	Pa×s	368.65	Calculated Property
η	0.0009652	Pa×s	396.57	Calculated Property
η	0.0006817	Pa×s	424.50	Calculated Property
η	0.0005026	Pa×s	452.42	Calculated Property
η	0.0003839	Pa×s	480.35	Calculated Property
η	0.0003021	Pa×s	508.27	Calculated Property
η	0.0002437	Pa×s	536.20	Calculated Property
η	0.0002008	Pa×s	564.12	Calculated Property

Similar Compounds

Find more compounds similar to trans-Cyclohexane-1,4-dimethanol, diacetate.

Sources

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

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