Chemical Properties of Cyclohexane, ethyl- (CAS 1678-91-7)

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InChI

InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChI Key

IIEWJVIFRVWJOD-UHFFFAOYSA-N

Formula

C8H16

SMILES

CCC1CCCCC1

Molecular Weight¹

112.21

CAS

1678-91-7

Other Names

• Ethylcyclohexane

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid phase heat capacity (J/mol×K).
• η: Dynamic viscosity (Pa×s).
• 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_fusH: Enthalpy of fusion at a given temperature (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.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5222.60 ± 1.50	kJ/mol	NIST
ΔfG°	40.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.60	kJ/mol	NIST
ΔfH°gas	-171.80 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-213.00	kJ/mol	NIST
ΔfH°liquid	-212.20 ± 1.50	kJ/mol	NIST
ΔfusH°	8.31	kJ/mol	Joback Calculated Property
ΔvapH°	[39.20; 40.60]	kJ/mol
ΔvapH°	40.60	kJ/mol	NIST
ΔvapH°	Outlier 39.20 ± 0.40	kJ/mol	NIST
ΔvapH°	40.00 ± 0.40	kJ/mol	NIST
ΔvapH°	40.00 ± 0.40	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
ΔvapH°	40.50	kJ/mol	NIST
ΔvapH°	40.50 ± 0.10	kJ/mol	NIST
ΔvapH°	40.47	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
IE	9.54	eV	NIST
IE	9.67 ± 0.02	eV	NIST
logPoct/wat	2.977		Crippen Calculated Property
Pc	3152.62	kPa	Joback Calculated Property
S°gas	382.67	J/mol×K	NIST
S°liquid	280.91	J/mol×K	NIST
S°liquid	281.60	J/mol×K	NIST
Tboil	[402.00; 410.00]	K
Tboil	405.00	K	NIST
Tboil	405.00	K	NIST
Tboil	405.00 ± 1.00	K	NIST
Tboil	405.00 ± 2.00	K	NIST
Tboil	406.00 ± 4.00	K	NIST
Tboil	406.00 ± 4.00	K	NIST
Tboil	Outlier 409.00 ± 4.00	K	NIST
Tboil	405.00 ± 1.00	K	NIST
Tboil	405.00 ± 3.00	K	NIST
Tboil	404.00 ± 4.00	K	NIST
Tboil	404.90 ± 0.40	K	NIST
Tboil	404.93 ± 0.20	K	NIST
Tboil	404.93 ± 0.20	K	NIST
Tboil	405.00 ± 0.40	K	NIST
Tboil	403.70 ± 1.00	K	NIST
Tboil	405.00 ± 0.20	K	NIST
Tboil	404.85 ± 0.30	K	NIST
Tboil	404.92 ± 0.30	K	NIST
Tboil	404.35 ± 0.50	K	NIST
Tboil	404.93 ± 0.01	K	NIST
Tboil	405.10 ± 0.50	K	NIST
Tboil	405.00 ± 0.25	K	NIST
Tboil	404.93 ± 0.15	K	NIST
Tboil	404.93 ± 0.10	K	NIST
Tboil	403.15 ± 0.20	K	NIST
Tboil	403.55 ± 0.50	K	NIST
Tboil	404.80 ± 0.80	K	NIST
Tboil	404.75 ± 0.50	K	NIST
Tboil	405.00 ± 2.00	K	NIST
Tboil	404.00 ± 2.00	K	NIST
Tboil	402.65 ± 1.50	K	NIST
Tboil	405.05 ± 0.60	K	NIST
Tboil	403.60 ± 1.50	K	NIST
Tboil	405.00 ± 0.30	K	NIST
Tboil	403.15 ± 3.00	K	NIST
Tboil	402.00 ± 4.00	K	NIST
Tboil	Outlier 410.00 ± 4.00	K	NIST
Tboil	403.00 ± 3.00	K	NIST
Tboil	402.00 ± 3.00	K	NIST
Tc	609.00	K	NIST
Tfus	[158.40; 161.85]	K
Tfus	158.40 ± 1.40	K	NIST
Tfus	161.85 ± 0.05	K	NIST
Tfus	161.80 ± 0.01	K	NIST
Tfus	161.75 ± 0.10	K	NIST
Tfus	159.35 ± 0.30	K	NIST
Tfus	161.75 ± 1.50	K	NIST
Ttriple	161.84 ± 0.05	K	NIST
Ttriple	161.40 ± 0.20	K	NIST
Vc	0.416	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.23; 239.88]	J/mol×K	[298.15; 448.15]
Cp,gas	152.23	J/mol×K	298.15	NIST
Cp,gas	170.36	J/mol×K	323.15	NIST
Cp,gas	197.90	J/mol×K	373.15	NIST
Cp,gas	217.63	J/mol×K	408.15	NIST
Cp,gas	239.88	J/mol×K	448.15	NIST
Cp,liquid	211.79	J/mol×K	298.15	NIST
Cp,liquid	214.20	J/mol×K	298.15	NIST
η	0.0002791	Pa×s	401.99	Joback Calculated Property
ΔfusH	[8.28; 8.50]	kJ/mol	[161.40; 161.84]
ΔfusH	8.33	kJ/mol	161.4	NIST
ΔfusH	8.28	kJ/mol	161.4	NIST
ΔfusH	8.28	kJ/mol	161.4	NIST
ΔfusH	8.50	kJ/mol	161.5	NIST
ΔfusH	8.33	kJ/mol	161.84	NIST
ΔvapH	[34.04; 39.80]	kJ/mol	[313.00; 405.00]
ΔvapH	39.80 ± 0.10	kJ/mol	313.0	NIST
ΔvapH	38.90 ± 0.10	kJ/mol	328.0	NIST
ΔvapH	37.90 ± 0.10	kJ/mol	343.0	NIST
ΔvapH	37.00 ± 0.10	kJ/mol	358.0	NIST
ΔvapH	38.60	kJ/mol	365.0	NIST
ΔvapH	36.30 ± 0.10	kJ/mol	368.0	NIST
ΔvapH	34.04	kJ/mol	405.0	NIST
ΔfusS	51.30	J/mol×K	161.4	NIST
ΔfusS	51.49	J/mol×K	161.84	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	1
-CH3	1
>CH- (ring)	1
-CH2- (ring)	5

Similar Compounds

Find more compounds similar to Cyclohexane, ethyl-.

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