Chemical Properties of Cyclotridecane (CAS 295-02-3)

InChI

InChI=1S/C13H26/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-13H2

InChI Key

UEVXKGPJXXDGCX-UHFFFAOYSA-N

Formula

C13H26

SMILES

C1CCCCCCCCCCCC1

Molecular Weight¹

182.35

CAS

295-02-3

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.2195		Relay (1.0) Calculated Property
ΔcH°liquid	-8521.80 ± 1.50	kJ/mol	NIST
ΔfG°	6.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.49	kJ/mol	Joback Calculated Property
ΔvapH°	62.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-5.74		Relay (1.0) Calculated Property
logPoct/wat	5.071		Crippen Calculated Property
McVol	183.170	ml/mol	McGowan Calculated Property
Pc	2372.59	kPa	Joback Calculated Property
Inp	1406.40		NIST
Tboil	536.56	K	Relay (1.0) Calculated Property
Tc	730.70	K	Relay (1.0) Calculated Property
Tfus	[296.15; 297.60]	K
Tfus	296.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	297.60 ± 0.30	K	NIST
Vc	0.638	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[0.90; 7.40]	kJ/mol	[285.60; 297.60]
ΔfusH	0.90	kJ/mol	285.60	NIST
ΔfusH	7.40	kJ/mol	297.60	NIST
ΔfusH	7.40	kJ/mol	297.60	NIST
ΔfusS	[3.15; 24.87]	J/mol×K	[285.60; 297.60]
ΔfusS	3.15	J/mol×K	285.60	NIST
ΔfusS	24.87	J/mol×K	297.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.63; 680.88]	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			-1.16320e+02
Coefficient B			1.32020e+00
Coefficient C			-4.95000e-04
Coefficient D			-2.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.63	J/mol×K	273.00	Calculated Property
Cp,gas	287.54	J/mol×K	353.78	Calculated Property
Cp,gas	361.61	J/mol×K	434.56	Calculated Property
Cp,gas	428.73	J/mol×K	515.33	Calculated Property
Cp,gas	488.84	J/mol×K	596.11	Calculated Property
Cp,gas	541.83	J/mol×K	676.89	Calculated Property
Cp,gas	587.61	J/mol×K	757.67	Calculated Property
Cp,gas	626.11	J/mol×K	838.44	Calculated Property
Cp,gas	657.23	J/mol×K	919.22	Calculated Property
Cp,gas	680.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073196; 0.0000348]	Pa×s	[296.88; 557.08]	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			-1.63701e+01
Coefficient B			3.40007e+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.			296.88
Temperature range, max.			557.08
η	0.0073196	Pa×s	296.88	Calculated Property
η	0.0026490	Pa×s	325.79	Calculated Property
η	0.0011315	Pa×s	354.70	Calculated Property
η	0.0005494	Pa×s	383.61	Calculated Property
η	0.0002952	Pa×s	412.52	Calculated Property
η	0.0001721	Pa×s	441.43	Calculated Property
η	0.0001072	Pa×s	470.34	Calculated Property
η	0.0000705	Pa×s	499.26	Calculated Property
η	0.0000486	Pa×s	528.17	Calculated Property
η	0.0000348	Pa×s	557.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[388.49; 557.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43931e+01
Coefficient B			-4.31209e+03
Coefficient C			-8.27900e+01
Temperature range, min.			388.49
Temperature range, max.			557.60
Pvap	1.33	kPa	388.49	Calculated Property
Pvap	3.02	kPa	407.28	Calculated Property
Pvap	6.24	kPa	426.07	Calculated Property
Pvap	11.98	kPa	444.86	Calculated Property
Pvap	21.57	kPa	463.65	Calculated Property
Pvap	36.73	kPa	482.44	Calculated Property
Pvap	59.62	kPa	501.23	Calculated Property
Pvap	92.84	kPa	520.02	Calculated Property
Pvap	139.38	kPa	538.81	Calculated Property
Pvap	202.64	kPa	557.60	Calculated Property

Similar Compounds

Find more compounds similar to Cyclotridecane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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