Chemical Properties of Spiro[5.6]dodecane (CAS 181-15-7)

InChI

InChI=1S/C12H22/c1-2-5-9-12(8-4-1)10-6-3-7-11-12/h1-11H2

InChI Key

ZDNANLAHKKNCTC-UHFFFAOYSA-N

Formula

C12H22

SMILES

C1CCCC2(CC1)CCCCC2

Molecular Weight¹

166.31

CAS

181-15-7

Other Names

• Spiro(5,6)dodecane

• 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_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	0.2314		Relay (1.0) Calculated Property
ΔcH°liquid	[-7613.80; -7613.20]	kJ/mol
ΔcH°liquid	-7613.80 ± 2.30	kJ/mol	NIST
ΔcH°liquid	-7613.20 ± 0.80	kJ/mol	NIST
ΔfG°	101.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.54	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-253.00; -252.40]	kJ/mol
ΔfH°liquid	-252.40 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-253.00 ± 0.80	kJ/mol	NIST
ΔfusH°	3.14	kJ/mol	Joback Calculated Property
ΔvapH°	60.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
logPoct/wat	4.291		Crippen Calculated Property
McVol	158.220	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Tboil	495.55	K	Relay (1.0) Calculated Property
Tc	718.28	K	Relay (1.0) Calculated Property
Tfus	252.58	K	Relay (1.0) Calculated Property
Vc	0.532	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	[177.62; 609.24]	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			-1.95160e+02
Coefficient B			1.70640e+00
Coefficient C			-1.37900e-03
Coefficient D			4.77000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.62	J/mol×K	273.00	Calculated Property
Cp,gas	257.05	J/mol×K	353.78	Calculated Property
Cp,gas	325.10	J/mol×K	434.56	Calculated Property
Cp,gas	383.27	J/mol×K	515.33	Calculated Property
Cp,gas	433.06	J/mol×K	596.11	Calculated Property
Cp,gas	475.99	J/mol×K	676.89	Calculated Property
Cp,gas	513.56	J/mol×K	757.67	Calculated Property
Cp,gas	547.29	J/mol×K	838.44	Calculated Property
Cp,gas	578.68	J/mol×K	919.22	Calculated Property
Cp,gas	609.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[424.54; 517.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.81411e+01
Coefficient B			-1.18250e+04
Coefficient C			0.00000e+00
Temperature range, min.			424.54
Temperature range, max.			517.97
Pvap	1.33	kPa	424.54	Calculated Property
Pvap	2.59	kPa	434.92	Calculated Property
Pvap	4.88	kPa	445.30	Calculated Property
Pvap	8.94	kPa	455.68	Calculated Property
Pvap	15.94	kPa	466.06	Calculated Property
Pvap	27.71	kPa	476.45	Calculated Property
Pvap	47.04	kPa	486.83	Calculated Property
Pvap	78.12	kPa	497.21	Calculated Property
Pvap	127.05	kPa	507.59	Calculated Property
Pvap	202.66	kPa	517.97	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[5.6]dodecane.

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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