Chemical Properties of Cyclopentylcycloheptane

InChI

InChI=1S/C12H22/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h11-12H,1-10H2

InChI Key

IVZDBCJTKAVJQI-UHFFFAOYSA-N

Formula

C12H22

SMILES

C1CCCC(C2CCCC2)CC1

Molecular Weight¹

166.31

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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

Property	Value	Unit	Source
ω	0.3053		Relay (1.0) Calculated Property
ΔcH°liquid	-7640.00 ± 4.00	kJ/mol	NIST
ΔfG°	99.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
ΔvapH°	61.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.147		Crippen Calculated Property
McVol	158.220	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1310.00; 1342.00]
Inp	1310.00		NIST
Inp	1342.00		NIST
Tboil	509.89	K	Relay (1.0) Calculated Property
Tc	733.38	K	Relay (1.0) Calculated Property
Tfus	241.57	K	Relay (1.0) Calculated Property
Vc	0.571	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.81; 608.57]	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			-1.39230e+02
Coefficient B			1.38800e+00
Coefficient C			-7.91000e-04
Coefficient D			1.50800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.81	J/mol×K	273.00	Calculated Property
Cp,gas	259.49	J/mol×K	353.78	Calculated Property
Cp,gas	326.94	J/mol×K	434.56	Calculated Property
Cp,gas	386.63	J/mol×K	515.33	Calculated Property
Cp,gas	439.04	J/mol×K	596.11	Calculated Property
Cp,gas	484.64	J/mol×K	676.89	Calculated Property
Cp,gas	523.92	J/mol×K	757.67	Calculated Property
Cp,gas	557.35	J/mol×K	838.44	Calculated Property
Cp,gas	585.41	J/mol×K	919.22	Calculated Property
Cp,gas	608.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0108669; 0.0002413]	Pa×s	[239.76; 521.78]	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			-1.15662e+01
Coefficient B			1.68890e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			239.76
Temperature range, max.			521.78
η	0.0108669	Pa×s	239.76	Calculated Property
η	0.0048139	Pa×s	271.10	Calculated Property
η	0.0025244	Pa×s	302.43	Calculated Property
η	0.0014944	Pa×s	333.77	Calculated Property
η	0.0009680	Pa×s	365.10	Calculated Property
η	0.0006715	Pa×s	396.44	Calculated Property
η	0.0004915	Pa×s	427.77	Calculated Property
η	0.0003754	Pa×s	459.11	Calculated Property
η	0.0002968	Pa×s	490.44	Calculated Property
η	0.0002413	Pa×s	521.78	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentylcycloheptane.

Sources

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

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