Chemical Properties of Spiro[5.5]undecane (CAS 180-43-8)

InChI

InChI=1S/C11H20/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-10H2

InChI Key

NECLQTPQJZSWOE-UHFFFAOYSA-N

Formula

C11H20

SMILES

C1CCC2(CC1)CCCCC2

Molecular Weight¹

152.28

CAS

180-43-8

Other Names

• Spiro(5,5)undecane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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

Property	Value	Unit	Source
ω	0.2310		Relay (1.0) Calculated Property
ΔcH°liquid	[-6942.40; -6939.00]	kJ/mol
ΔcH°liquid	-6942.40 ± 2.80	kJ/mol	NIST
ΔcH°liquid	-6939.00 ± 2.00	kJ/mol	NIST
ΔfG°	104.96	kJ/mol	Joback Calculated Property
ΔfH°gas	[-191.80; -188.30]	kJ/mol
ΔfH°gas	-188.30 ± 3.10	kJ/mol	NIST
ΔfH°gas	-191.80	kJ/mol	NIST
ΔfH°liquid	[-248.00; -244.50]	kJ/mol
ΔfH°liquid	-244.50 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-248.00 ± 2.00	kJ/mol	NIST
ΔfusH°	2.65	kJ/mol	Joback Calculated Property
ΔsubH°	63.60 ± 0.80	kJ/mol	NIST
ΔvapH°	[56.10; 56.20]	kJ/mol
ΔvapH°	56.10 ± 0.10	kJ/mol	NIST
ΔvapH°	56.20	kJ/mol	NIST
ΔvapH°	56.10	kJ/mol	NIST
IE	9.25	eV	Relay (1.0) Calculated Property
logPoct/wat	3.901		Crippen Calculated Property
McVol	144.130	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Tboil	474.45	K	Relay (1.0) Calculated Property
Tc	690.85	K	Relay (1.0) Calculated Property
Tfus	[248.65; 248.70]	K
Tfus	248.65 ± 0.50	K	NIST
Tfus	248.70 ± 0.50	K	NIST
Tfus	248.70 ± 0.60	K	NIST
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l 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	[161.30; 555.87]	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			-1.89130e+02
Coefficient B			1.62100e+00
Coefficient C			-1.37100e-03
Coefficient D			4.95000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.30	J/mol×K	273.00	Calculated Property
Cp,gas	234.67	J/mol×K	353.78	Calculated Property
Cp,gas	297.01	J/mol×K	434.56	Calculated Property
Cp,gas	349.87	J/mol×K	515.33	Calculated Property
Cp,gas	394.84	J/mol×K	596.11	Calculated Property
Cp,gas	433.46	J/mol×K	676.89	Calculated Property
Cp,gas	467.31	J/mol×K	757.67	Calculated Property
Cp,gas	497.95	J/mol×K	838.44	Calculated Property
Cp,gas	526.95	J/mol×K	919.22	Calculated Property
Cp,gas	555.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.19; 202.63]	kPa	[369.00; 504.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55909e+01
Coefficient B			-3.44213e+03
Coefficient C			-1.69238e+02
Temperature range, min.			369.00
Temperature range, max.			504.09
Pvap	0.19	kPa	369.00	Calculated Property
Pvap	0.65	kPa	384.01	Calculated Property
Pvap	1.84	kPa	399.02	Calculated Property
Pvap	4.62	kPa	414.03	Calculated Property
Pvap	10.40	kPa	429.04	Calculated Property
Pvap	21.45	kPa	444.05	Calculated Property
Pvap	41.03	kPa	459.06	Calculated Property
Pvap	73.63	kPa	474.07	Calculated Property
Pvap	125.08	kPa	489.08	Calculated Property
Pvap	202.63	kPa	504.09	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[5.5]undecane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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