Chemical Properties of Spiro[4.5]decane (CAS 176-63-6)

InChI

InChI=1S/C10H18/c1-2-6-10(7-3-1)8-4-5-9-10/h1-9H2

InChI Key

CTDQAGUNKPRERK-UHFFFAOYSA-N

Formula

C10H18

SMILES

C1CCC2(CC1)CCCC2

Molecular Weight¹

138.25

CAS

176-63-6

Other Names

• Spiro[4.5]decan
• Spiro(4,5)decane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2300		Relay (1.0) Calculated Property
ΔcH°liquid	[-6307.50; -6307.00]	kJ/mol
ΔcH°liquid	-6307.50 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-6307.00 ± 1.00	kJ/mol	NIST
ΔfG°	108.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.10 ± 2.20	kJ/mol	NIST
ΔfH°liquid	-200.00 ± 1.00	kJ/mol	NIST
ΔfusH°	2.16	kJ/mol	Joback Calculated Property
ΔvapH°	[54.80; 54.92]	kJ/mol
ΔvapH°	54.92 ± 0.09	kJ/mol	NIST
ΔvapH°	54.80	kJ/mol	NIST
IE	9.28	eV	Relay (1.0) Calculated Property
logPoct/wat	3.511		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Pc	3302.95	kPa	Joback Calculated Property
Tboil	458.00 ± 3.00	K	NIST
Tc	675.29	K	Relay (1.0) Calculated Property
Tfus	224.25	K	Relay (1.0) Calculated Property
Vc	0.441	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.97; 502.50]	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			-1.83100e+02
Coefficient B			1.53560e+00
Coefficient C			-1.36300e-03
Coefficient D			5.13000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.97	J/mol×K	273.00	Calculated Property
Cp,gas	212.28	J/mol×K	353.78	Calculated Property
Cp,gas	268.91	J/mol×K	434.56	Calculated Property
Cp,gas	316.48	J/mol×K	515.33	Calculated Property
Cp,gas	356.62	J/mol×K	596.11	Calculated Property
Cp,gas	390.93	J/mol×K	676.89	Calculated Property
Cp,gas	421.06	J/mol×K	757.67	Calculated Property
Cp,gas	448.61	J/mol×K	838.44	Calculated Property
Cp,gas	475.22	J/mol×K	919.22	Calculated Property
Cp,gas	502.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.67; 13.37]	kPa	[348.00; 389.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62302e+01
Coefficient B			-5.32740e+03
Coefficient C			1.34300e+00
Reference			Naro, 1965, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			348.00
Temperature range, max.			389.30
Pvap	2.67	kPa	348.00	Calculated Property
Pvap	3.25	kPa	352.59	Calculated Property
Pvap	3.94	kPa	357.18	Calculated Property
Pvap	4.75	kPa	361.77	Calculated Property
Pvap	5.71	kPa	366.36	Calculated Property
Pvap	6.82	kPa	370.94	Calculated Property
Pvap	8.12	kPa	375.53	Calculated Property
Pvap	9.63	kPa	380.12	Calculated Property
Pvap	11.37	kPa	384.71	Calculated Property
Pvap	13.37	kPa	389.30	Calculated Property
Pvap	[2.67; 13.37]	kPa	[348.00; 389.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62302e+01
Coefficient B			-5.32740e+03
Coefficient C			1.34300e+00
Reference			Naro, 1965
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			348.00
Temperature range, max.			389.30
Pvap	2.67	kPa	348.00	Calculated Property
Pvap	3.25	kPa	352.59	Calculated Property
Pvap	3.94	kPa	357.18	Calculated Property
Pvap	4.75	kPa	361.77	Calculated Property
Pvap	5.71	kPa	366.36	Calculated Property
Pvap	6.82	kPa	370.94	Calculated Property
Pvap	8.12	kPa	375.53	Calculated Property
Pvap	9.63	kPa	380.12	Calculated Property
Pvap	11.37	kPa	384.71	Calculated Property
Pvap	13.37	kPa	389.30	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[4.5]decane.

Sources

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

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