Chemical Properties of Cycloheptene (CAS 628-92-2)

InChI

InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2

InChI Key

ZXIJMRYMVAMXQP-UHFFFAOYSA-N

Formula

C7H12

SMILES

C1=CCCCCC1

Molecular Weight¹

96.17

CAS

628-92-2

Other Names

• (Z)-Cycloheptene
• Cycloheptene(Z)
• UN 2242

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4428.30	kJ/mol	NIST
ΔfG°	58.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-61.53	kJ/mol	Joback Calculated Property
ΔfusH°	3.77	kJ/mol	Joback Calculated Property
ΔvapH°	32.38	kJ/mol	Joback Calculated Property
IE	[8.87; 9.12]	eV
IE	9.05 ± 0.15	eV	NIST
IE	8.87	eV	NIST
IE	9.12	eV	NIST
log10WS	[-3.18; -3.18]
log10WS	-3.18		Aq. Sol...
log10WS	-3.18		Estimat...
logPoct/wat	2.507		Crippen Calculated Property
McVol	94.330	ml/mol	McGowan Calculated Property
Pc	3950.57	kPa	Joback Calculated Property
Inp	[770.00; 815.00]
Inp	794.20		NIST
Inp	797.00		NIST
Inp	Outlier 808.00		NIST
Inp	788.00		NIST
Inp	794.00		NIST
Inp	800.00		NIST
Inp	770.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	785.00		NIST
Inp	789.00		NIST
Inp	774.00		NIST
Inp	785.00		NIST
Inp	794.00		NIST
Inp	Outlier 815.00		NIST
Inp	770.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	789.00		NIST
Inp	800.00		NIST
Inp	782.00		NIST
Inp	785.00		NIST
Inp	773.00		NIST
Inp	783.00		NIST
Inp	783.00		NIST
Inp	774.00		NIST
Inp	785.00		NIST
Inp	788.00		NIST
Inp	783.00		NIST
Inp	788.00		NIST
Inp	773.00		NIST
Inp	785.00		NIST
I	[917.00; 952.00]
I	952.00		NIST
I	917.00		NIST
I	952.00		NIST
Tboil	387.21	K	Joback Calculated Property
Tc	601.57	K	Joback Calculated Property
Tfus	217.00 ± 1.00	K	NIST
Ttriple	217.55 ± 0.01	K	NIST
Vc	0.340	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.52; 241.07]	J/mol×K	[387.21; 601.57]
Cp,gas	158.52	J/mol×K	387.21	Joback Calculated Property
Cp,gas	174.29	J/mol×K	422.94	Joback Calculated Property
Cp,gas	189.23	J/mol×K	458.66	Joback Calculated Property
Cp,gas	203.35	J/mol×K	494.39	Joback Calculated Property
Cp,gas	216.68	J/mol×K	530.12	Joback Calculated Property
Cp,gas	229.25	J/mol×K	565.84	Joback Calculated Property
Cp,gas	241.07	J/mol×K	601.57	Joback Calculated Property
η	[0.0002583; 0.0221512]	Pa×s	[177.51; 387.21]
η	0.0221512	Pa×s	177.51	Joback Calculated Property
η	0.0057299	Pa×s	212.46	Joback Calculated Property
η	0.0021717	Pa×s	247.41	Joback Calculated Property
η	0.0010466	Pa×s	282.36	Joback Calculated Property
η	0.0005923	Pa×s	317.31	Joback Calculated Property
η	0.0003753	Pa×s	352.26	Joback Calculated Property
η	0.0002583	Pa×s	387.21	Joback Calculated Property
ΔfusH	0.97	kJ/mol	217.00	NIST
ΔvapH	[36.70; 38.50]	kJ/mol	[281.50; 300.00]
ΔvapH	36.70	kJ/mol	281.50	NIST
ΔvapH	38.50	kJ/mol	282.00	NIST
ΔvapH	36.73	kJ/mol	300.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[280.63; 414.03]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44295e+01
Coefficient B			-3.42389e+03
Coefficient C			-3.85200e+01
Temperature range, min.			280.63
Temperature range, max.			414.03
Pvap	1.33	kPa	280.63	Calculated Property
Pvap	3.01	kPa	295.45	Calculated Property
Pvap	6.24	kPa	310.27	Calculated Property
Pvap	11.96	kPa	325.10	Calculated Property
Pvap	21.53	kPa	339.92	Calculated Property
Pvap	36.67	kPa	354.74	Calculated Property
Pvap	59.55	kPa	369.56	Calculated Property
Pvap	92.76	kPa	384.39	Calculated Property
Pvap	139.33	kPa	399.21	Calculated Property
Pvap	202.66	kPa	414.03	Calculated Property
Pvap	[0.18; 7.07]	kPa	[251.15; 313.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.67489e+01
Coefficient B			-4.63255e+03
Coefficient C			1.38876e-04
Coefficient D			-2.97789e-10
Temperature range, min.			251.15
Temperature range, max.			313.15
Pvap	0.18	kPa	251.15	Calculated Property
Pvap	0.30	kPa	258.04	Calculated Property
Pvap	0.48	kPa	264.93	Calculated Property
Pvap	0.75	kPa	271.82	Calculated Property
Pvap	1.14	kPa	278.71	Calculated Property
Pvap	1.70	kPa	285.59	Calculated Property
Pvap	2.49	kPa	292.48	Calculated Property
Pvap	3.58	kPa	299.37	Calculated Property
Pvap	5.07	kPa	306.26	Calculated Property
Pvap	7.07	kPa	313.15	Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptene.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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