Chemical Properties of Trans-1,4-cyclohexane-dimethanol diformate

InChI

InChI=1S/C10H16O4/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h7-10H,1-6H2

InChI Key

ZZJUPUVRKUZDCB-UHFFFAOYSA-N

Formula

C10H16O4

SMILES

O=COCC1CCC(COC=O)CC1

Molecular Weight¹

200.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.41; 510.93]	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			-5.58680e+01
Coefficient B			1.14600e+00
Coefficient C			-7.71400e-04
Coefficient D			1.92200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.41	J/mol×K	273.00	Calculated Property
Cp,gas	261.52	J/mol×K	353.78	Calculated Property
Cp,gas	312.23	J/mol×K	434.56	Calculated Property
Cp,gas	356.15	J/mol×K	515.33	Calculated Property
Cp,gas	393.87	J/mol×K	596.11	Calculated Property
Cp,gas	426.02	J/mol×K	676.89	Calculated Property
Cp,gas	453.19	J/mol×K	757.67	Calculated Property
Cp,gas	475.99	J/mol×K	838.44	Calculated Property
Cp,gas	495.04	J/mol×K	919.22	Calculated Property
Cp,gas	510.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029464; 0.0008766]	Pa×s	[323.00; 530.94]	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			-8.92251e+00
Coefficient B			9.99800e+02
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.			323.00
Temperature range, max.			530.94
η	0.0029464	Pa×s	323.00	Calculated Property
η	0.0023964	Pa×s	346.10	Calculated Property
η	0.0020001	Pa×s	369.21	Calculated Property
η	0.0017052	Pa×s	392.31	Calculated Property
η	0.0014799	Pa×s	415.42	Calculated Property
η	0.0013036	Pa×s	438.52	Calculated Property
η	0.0011631	Pa×s	461.63	Calculated Property
η	0.0010490	Pa×s	484.73	Calculated Property
η	0.0009550	Pa×s	507.84	Calculated Property
η	0.0008766	Pa×s	530.94	Calculated Property

Similar Compounds

Find more compounds similar to Trans-1,4-cyclohexane-dimethanol diformate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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