Chemical Properties of 1,2-Cycloheptanediol, trans- (CAS 13553-19-0)

InChI

InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2

InChI Key

DCYPPXGEIQTVPI-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

OC1CCCCCC1O

Molecular Weight¹

130.18

CAS

13553-19-0

Other Names

• trans-cycloheptane-1,2-diol

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.24; 411.32]	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			-5.76800e+01
Coefficient B			8.22800e-01
Coefficient C			-3.97000e-04
Coefficient D			4.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.24	J/mol×K	273.00	Calculated Property
Cp,gas	185.63	J/mol×K	353.78	Calculated Property
Cp,gas	228.45	J/mol×K	434.56	Calculated Property
Cp,gas	266.82	J/mol×K	515.33	Calculated Property
Cp,gas	300.88	J/mol×K	596.11	Calculated Property
Cp,gas	330.77	J/mol×K	676.89	Calculated Property
Cp,gas	356.62	J/mol×K	757.67	Calculated Property
Cp,gas	378.57	J/mol×K	838.44	Calculated Property
Cp,gas	396.76	J/mol×K	919.22	Calculated Property
Cp,gas	411.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0891453; 0.0000839]	Pa×s	[289.91; 526.24]	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			-1.79350e+01
Coefficient B			4.49869e+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.			289.91
Temperature range, max.			526.24
η	0.0891453	Pa×s	289.91	Calculated Property
η	0.0245691	Pa×s	316.17	Calculated Property
η	0.0082513	Pa×s	342.43	Calculated Property
η	0.0032371	Pa×s	368.69	Calculated Property
η	0.0014382	Pa×s	394.95	Calculated Property
η	0.0007070	Pa×s	421.20	Calculated Property
η	0.0003778	Pa×s	447.46	Calculated Property
η	0.0002164	Pa×s	473.72	Calculated Property
η	0.0001314	Pa×s	499.98	Calculated Property
η	0.0000839	Pa×s	526.24	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cycloheptanediol, trans-.

Sources

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

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