Chemical Properties of Spiro(2,5)octane

InChI

InChI=1S/C8H14/c1-2-4-8(5-3-1)6-7-8/h1-7H2

InChI Key

FOEYMRPOKBCNCR-UHFFFAOYSA-N

Formula

C8H14

SMILES

C1CCC2(CC1)CC2

Molecular Weight¹

110.20

Other Names

• Spiro[2.5]octane

• ω : Acentric Factor.
• 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_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).
• 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	0.2198		Relay (1.0) Calculated Property
ΔfG°	116.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-12.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	1.18	kJ/mol	Joback Calculated Property
ΔvapH°	42.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	NIST
logPoct/wat	2.731		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Tboil	[398.70; 398.90]	K
Tboil	398.90 ± 2.00	K	NIST
Tboil	398.70 ± 1.50	K	NIST
Tc	621.77	K	Relay (1.0) Calculated Property
Tfus	187.00 ± 1.00	K	NIST
Vc	0.346	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	[112.33; 395.76]	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			-1.71040e+02
Coefficient B			1.36480e+00
Coefficient C			-1.34700e-03
Coefficient D			5.49000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.33	J/mol×K	273.00	Calculated Property
Cp,gas	167.52	J/mol×K	353.78	Calculated Property
Cp,gas	212.73	J/mol×K	434.56	Calculated Property
Cp,gas	249.70	J/mol×K	515.33	Calculated Property
Cp,gas	280.17	J/mol×K	596.11	Calculated Property
Cp,gas	305.88	J/mol×K	676.89	Calculated Property
Cp,gas	328.55	J/mol×K	757.67	Calculated Property
Cp,gas	349.93	J/mol×K	838.44	Calculated Property
Cp,gas	371.76	J/mol×K	919.22	Calculated Property
Cp,gas	395.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Spiro(2,5)octane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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