Chemical Properties of 3-Cyclohexene-1-carboxaldehyde (CAS 100-50-5)

InChI

InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2

InChI Key

DCFDVJPDXYGCOK-UHFFFAOYSA-N

Formula

C7H10O

SMILES

O=CC1CC=CCC1

Molecular Weight¹

110.15

CAS

100-50-5

Other Names

• Cyclohexene-4-carboxaldehyde
• 1-Formyl-3-cyclohexene
• 1,2,3,6-Tetrahydrobenzaldehyde
• 1,2,5,6-Tetrahydrobenzaldehyde
• 3-Cyclohexen-1-aldehyde
• 4-Formylcyclohexene
• 1,2,3,6-Tetrahydrobenzaldehyde(1,2,5,6)
• 1-Cyclohexene-4-carboxaldehyde
• 4-Cyclohexene-1-carboxaldehyde
• UN 2498
• NSC 16241
• cyclohex-3-ene-1-carbaldehyde

• 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).
• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2871		Relay (1.0) Calculated Property
ΔfG°	-37.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-100.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.23	kJ/mol	Joback Calculated Property
ΔvapH°	47.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-1.18		Relay (1.0) Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	95.900	ml/mol	McGowan Calculated Property
Pc	4031.24	kPa	Joback Calculated Property
I	1490.00		NIST
Tboil	[437.00; 438.15]	K
Tboil	437.20	K	NIST
Tboil	438.15	K	NIST
Tboil	437.00 ± 3.00	K	NIST
Tc	646.74	K	Relay (1.0) Calculated Property
Tfus	177.10 ± 1.00	K	NIST
Vc	0.327	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.25; 254.56]	J/mol×K	[426.93; 639.30]
Cp,gas	183.25	J/mol×K	426.93	Joback Calculated Property
Cp,gas	196.95	J/mol×K	462.32	Joback Calculated Property
Cp,gas	209.90	J/mol×K	497.72	Joback Calculated Property
Cp,gas	222.11	J/mol×K	533.11	Joback Calculated Property
Cp,gas	233.61	J/mol×K	568.51	Joback Calculated Property
Cp,gas	244.42	J/mol×K	603.90	Joback Calculated Property
Cp,gas	254.56	J/mol×K	639.30	Joback Calculated Property
η	[0.0003453; 0.0049031]	Pa×s	[218.79; 426.93]
η	0.0049031	Pa×s	218.79	Joback Calculated Property
η	0.0023281	Pa×s	253.48	Joback Calculated Property
η	0.0013226	Pa×s	288.17	Joback Calculated Property
η	0.0008484	Pa×s	322.86	Joback Calculated Property
η	0.0005932	Pa×s	357.55	Joback Calculated Property
η	0.0004419	Pa×s	392.24	Joback Calculated Property
η	0.0003453	Pa×s	426.93	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-carboxaldehyde.

Sources

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

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