Chemical Properties of Spirohexane (CAS 157-45-9)

InChI

InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2

InChI Key

FYGUBWKMMCWIKB-UHFFFAOYSA-N

Formula

C6H10

SMILES

C1CC2(C1)CC2

Molecular Weight¹

82.14

CAS

157-45-9

• 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).
• 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).
• 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	0.2197		Relay (... Calculated Property
ΔfG°	123.36	kJ/mol	Joback Calculated Property
ΔfH°gas	83.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	0.20	kJ/mol	Joback Calculated Property
ΔvapH°	29.81	kJ/mol	Relay (... Calculated Property
IE	[9.10; 9.66]	eV
IE	9.10	eV	NIST
IE	9.66	eV	NIST
log10WS	-2.68		Relay (... Calculated Property
logPoct/wat	1.950		Crippen Calculated Property
McVol	73.680	ml/mol	McGowan Calculated Property
Pc	4717.12	kPa	Joback Calculated Property
Tboil	332.02	K	Relay (... Calculated Property
Tc	546.70	K	Relay (... Calculated Property
Tfus	150.68	K	Relay (... Calculated Property
Vc	0.243	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.36; 195.15]	J/mol×K	[355.07; 560.61]
Cp,gas	123.36	J/mol×K	355.07	Joback Calculated Property
Cp,gas	138.65	J/mol×K	389.33	Joback Calculated Property
Cp,gas	152.43	J/mol×K	423.58	Joback Calculated Property
Cp,gas	164.82	J/mol×K	457.84	Joback Calculated Property
Cp,gas	175.98	J/mol×K	492.10	Joback Calculated Property
Cp,gas	186.04	J/mol×K	526.35	Joback Calculated Property
Cp,gas	195.15	J/mol×K	560.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spirohexane.

Sources

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

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