Chemical Properties of 1,3-Cycloheptadiene (CAS 4054-38-0)

InChI

InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2

InChI Key

GWYPDXLJACEENP-UHFFFAOYSA-N

Formula

C7H10

SMILES

C1=CCCCC=C1

Molecular Weight¹

94.15

CAS

4054-38-0

Other Names

• Cyclohepta-1,3-diene

• 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_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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1792		Relay (1.0) Calculated Property
ΔfG°	88.04	kJ/mol	Joback Calculated Property
ΔfH°gas	68.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.99	kJ/mol	Joback Calculated Property
ΔvapH°	36.96	kJ/mol	Relay (1.0) Calculated Property
IE	[8.31; 8.40]	eV
IE	8.40	eV	NIST
IE	8.31 ± 0.03	eV	NIST
IE	8.31	eV	NIST
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	2.283		Crippen Calculated Property
McVol	90.030	ml/mol	McGowan Calculated Property
Pc	4135.61	kPa	Joback Calculated Property
Inp	[796.00; 831.00]
Inp	820.30		NIST
Inp	831.00		NIST
Inp	815.00		NIST
Inp	796.00		NIST
Inp	804.00		NIST
Inp	811.00		NIST
Inp	811.00		NIST
Inp	815.00		NIST
Inp	820.30		NIST
Inp	804.00		NIST
I	[1060.00; 1060.00]
I	1060.00		NIST
I	1060.00		NIST
I	1060.00		NIST
Tboil	393.70	K	NIST
Tc	579.32	K	Relay (1.0) Calculated Property
Tfus	198.21	K	Relay (1.0) Calculated Property
Vc	0.313	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.51; 221.20]	J/mol×K	[386.57; 603.40]
Cp,gas	146.51	J/mol×K	386.57	Joback Calculated Property
Cp,gas	160.89	J/mol×K	422.71	Joback Calculated Property
Cp,gas	174.47	J/mol×K	458.85	Joback Calculated Property
Cp,gas	187.26	J/mol×K	494.98	Joback Calculated Property
Cp,gas	199.30	J/mol×K	531.12	Joback Calculated Property
Cp,gas	210.60	J/mol×K	567.26	Joback Calculated Property
Cp,gas	221.20	J/mol×K	603.40	Joback Calculated Property
η	[0.0002406; 0.0148277]	Pa×s	[178.27; 386.57]
η	0.0148277	Pa×s	178.27	Joback Calculated Property
η	0.0042628	Pa×s	212.99	Joback Calculated Property
η	0.0017380	Pa×s	247.70	Joback Calculated Property
η	0.0008835	Pa×s	282.42	Joback Calculated Property
η	0.0005209	Pa×s	317.14	Joback Calculated Property
η	0.0003408	Pa×s	351.85	Joback Calculated Property
η	0.0002406	Pa×s	386.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cycloheptadiene.

Sources

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

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