Chemical Properties of Cyclohexene,3-butyl- (CAS 3983-07-1)

InChI

InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h5,8,10H,2-4,6-7,9H2,1H3

InChI Key

DPWVJRLEBPJBSR-UHFFFAOYSA-N

Formula

C10H18

SMILES

CCCCC1C=CCCC1

Molecular Weight¹

138.25

CAS

3983-07-1

Other Names

• 3-Butylcyclohexene
• 3-Butylcyclohexene-1
• 3-butyl-1-cyclohexene

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3057		Relay (1.0) Calculated Property
ΔfG°	87.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-102.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.71	kJ/mol	Joback Calculated Property
ΔvapH°	47.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.80 ± 0.02	eV	NIST
logPoct/wat	3.533		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Pc	2665.27	kPa	Joback Calculated Property
Inp	[991.40; 1082.00]
Inp	1036.00		NIST
Inp	1041.00		NIST
Inp	991.40		NIST
Inp	995.60		NIST
Inp	1045.00		NIST
Inp	1074.00		NIST
Inp	1082.00		NIST
Inp	1035.90		NIST
Inp	1041.50		NIST
Inp	1036.00		NIST
Inp	1042.00		NIST
Inp	1046.00		NIST
Ip	[1151.50; 1209.00]
Ip	Outlier 1151.50		NIST
Ip	1158.80		NIST
Ip	1161.80		NIST
Ip	1193.00		NIST
Ip	1204.00		NIST
Ip	1209.00		NIST
Ip	1172.00		NIST
Ip	1182.00		NIST
Ip	1179.00		NIST
Ip	1184.00		NIST
Ip	1189.00		NIST
Ip	1195.00		NIST
Ip	1167.00		NIST
Ip	1173.00		NIST
Ip	1178.60		NIST
Ip	1183.80		NIST
Ip	1188.80		NIST
Ip	1194.80		NIST
Ip	1167.20		NIST
Ip	1172.90		NIST
Ip	1193.00		NIST
Ip	1192.90		NIST
Ip	1171.90		NIST
Ip	1182.90		NIST
Ip	1192.90		NIST
Ip	1171.90		NIST
Ip	1182.90		NIST
Ip	Outlier 1151.50		NIST
Ip	1209.00		NIST
Ip	1189.00		NIST
Ip	1183.80		NIST
Ip	1193.00		NIST
Ip	1171.90		NIST
Tboil	448.41	K	Relay (1.0) Calculated Property
Tc	634.75	K	Relay (1.0) Calculated Property
Tfus	193.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.03; 489.01]	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			-6.40270e+01
Coefficient B			1.01992e+00
Coefficient C			-5.88480e-04
Coefficient D			1.21600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.03	J/mol×K	273.00	Calculated Property
Cp,gas	228.53	J/mol×K	353.78	Calculated Property
Cp,gas	278.04	J/mol×K	434.56	Calculated Property
Cp,gas	321.93	J/mol×K	515.33	Calculated Property
Cp,gas	360.60	J/mol×K	596.11	Calculated Property
Cp,gas	394.43	J/mol×K	676.89	Calculated Property
Cp,gas	423.80	J/mol×K	757.67	Calculated Property
Cp,gas	449.10	J/mol×K	838.44	Calculated Property
Cp,gas	470.71	J/mol×K	919.22	Calculated Property
Cp,gas	489.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063747; 0.0002475]	Pa×s	[210.60; 452.20]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11359e+01
Coefficient B			1.28055e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			210.60
Temperature range, max.			452.20
η	0.0063747	Pa×s	210.60	Calculated Property
η	0.0032056	Pa×s	237.44	Calculated Property
η	0.0018536	Pa×s	264.29	Calculated Property
η	0.0011857	Pa×s	291.13	Calculated Property
η	0.0008179	Pa×s	317.98	Calculated Property
η	0.0005978	Pa×s	344.82	Calculated Property
η	0.0004572	Pa×s	371.66	Calculated Property
η	0.0003625	Pa×s	398.51	Calculated Property
η	0.0002959	Pa×s	425.35	Calculated Property
η	0.0002475	Pa×s	452.20	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene,3-butyl-.

Sources

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

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