Chemical Properties of 1,5-Heptadiene (CAS 1541-23-7)

InChI

InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3

InChI Key

ZGXMNEKDFYUNDQ-UHFFFAOYSA-N

Formula

C7H12

SMILES

C=CCCC=CC

Molecular Weight¹

96.17

CAS

1541-23-7

Other Names

• Hepta-1,5-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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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	0.2431		Relay (1.0) Calculated Property
ΔfG°	176.12	kJ/mol	Joback Calculated Property
ΔfH°gas	21.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.81	kJ/mol	Joback Calculated Property
ΔvapH°	38.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[691.00; 696.80]
Inp	696.80		NIST
Inp	695.30		NIST
Inp	691.60		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	696.80		NIST
Tboil	[366.85; 367.40]	K
Tboil	367.40 ± 1.00	K	NIST
Tboil	366.85 ± 0.50	K	NIST
Tc	538.65	K	Relay (1.0) Calculated Property
Tfus	155.04	K	Relay (1.0) Calculated Property
Vc	0.375	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.17; 321.37]	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			-2.06480e+01
Coefficient B			6.68820e-01
Coefficient C			-4.63700e-04
Coefficient D			1.36900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.17	J/mol×K	273.00	Calculated Property
Cp,gas	163.99	J/mol×K	353.78	Calculated Property
Cp,gas	193.66	J/mol×K	434.56	Calculated Property
Cp,gas	219.61	J/mol×K	515.33	Calculated Property
Cp,gas	242.27	J/mol×K	596.11	Calculated Property
Cp,gas	262.07	J/mol×K	676.89	Calculated Property
Cp,gas	279.45	J/mol×K	757.67	Calculated Property
Cp,gas	294.84	J/mol×K	838.44	Calculated Property
Cp,gas	308.67	J/mol×K	919.22	Calculated Property
Cp,gas	321.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037899; 0.0001710]	Pa×s	[161.81; 375.65]	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			-1.10179e+01
Coefficient B			8.80640e+02
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.			161.81
Temperature range, max.			375.65
η	0.0037899	Pa×s	161.81	Calculated Property
η	0.0018879	Pa×s	185.57	Calculated Property
η	0.0011017	Pa×s	209.33	Calculated Property
η	0.0007175	Pa×s	233.09	Calculated Property
η	0.0005059	Pa×s	256.85	Calculated Property
η	0.0003784	Pa×s	280.61	Calculated Property
η	0.0002962	Pa×s	304.37	Calculated Property
η	0.0002402	Pa×s	328.13	Calculated Property
η	0.0002004	Pa×s	351.89	Calculated Property
η	0.0001710	Pa×s	375.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[275.22; 389.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55181e+01
Coefficient B			-3.53351e+03
Coefficient C			-4.32180e+01
Temperature range, min.			275.22
Temperature range, max.			389.42
Pvap	1.33	kPa	275.22	Calculated Property
Pvap	2.94	kPa	287.91	Calculated Property
Pvap	5.99	kPa	300.60	Calculated Property
Pvap	11.41	kPa	313.29	Calculated Property
Pvap	20.52	kPa	325.98	Calculated Property
Pvap	35.10	kPa	338.66	Calculated Property
Pvap	57.44	kPa	351.35	Calculated Property
Pvap	90.40	kPa	364.04	Calculated Property
Pvap	137.45	kPa	376.73	Calculated Property
Pvap	202.67	kPa	389.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Heptadiene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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